6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C36H40N14O3S — CID 161064030

IUPAC6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1.CS(=O)(=O)c1cncnc1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C19H21N7O.C17H19N7O2S/c1-21-19(27)15-6-2-5-13(24-15)12-4-3-9-26(10-12)16-8-7-14-17(25-16)18(20)23-11-22-14;1-27(25,26)13-7-19-9-21-15(13)11-3-2-6-24(8-11)14-5-4-12-16(23-14)17(18)22-10-20-12/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23);4-5,7,9-11H,2-3,6,8H2,1H3,(H2,18,20,22)
InChIKeyUDTSOYKWQRPYAQ-UHFFFAOYSA-N
MW748.88 g/mol
LogP2.93
Rot. Bonds6

About 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 161064030) has the molecular formula C36H40N14O3S and a molecular weight of 748.88 g/mol. Its IUPAC name is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID161064030
Molecular FormulaC36H40N14O3S
Molecular Weight748.88 g/mol
Exact Mass748.31
IUPAC Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1.CS(=O)(=O)c1cncnc1C1CCCN(c2ccc3ncnc(N)c3n2)C1
InChIInChI=1S/C19H21N7O.C17H19N7O2S/c1-21-19(27)15-6-2-5-13(24-15)12-4-3-9-26(10-12)16-8-7-14-17(25-16)18(20)23-11-22-14;1-27(25,26)13-7-19-9-21-15(13)11-3-2-6-24(8-11)14-5-4-12-16(23-14)17(18)22-10-20-12/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23);4-5,7,9-11H,2-3,6,8H2,1H3,(H2,18,20,22)
InChIKeyUDTSOYKWQRPYAQ-UHFFFAOYSA-N
XLogP2.93
TPSA237.77 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.88
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-amino-8-methylsulfonyl-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122445001
US9592235, Example 288
CID 90016640
US9592235, Example 300
CID 90016729
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-3-piperidyl]-N,N-dimethyl-pyridine-2-carboxamide
CID 90016765
(5-Butyl-2-pyridinyl)-[4-[[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]-methylamino]methyl]piperidin-1-yl]methanone
CID 11606455
(5-Butyl-2-pyridinyl)-[4-[[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]methylamino]methyl]piperidin-1-yl]methanone
CID 69161793
4-methyl-3-[8-methylsulfonyl-3-[(1R)-2,2,2-trifluoro-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]-1H-pyridin-2-one
CID 140620320
3-[3-[(1R)-1-(4-aminopyrido[3,2-d]pyrimidin-2-yl)-2,2,2-trifluoroethyl]-8-methylsulfonylquinolin-2-yl]-4-methyl-1H-pyridin-2-one
CID 140673539
N,N-diethylethanamine;3-(dimethylamino)-2-ethylsulfonyl-1-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]prop-2-en-1-one;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-pyridinyl]-2-pyrimidin-2-ylpyrimidine;pyrimidine-2-carboximidamide;hydrochloride
CID 159210272
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-(2-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-methyl-6-(2-methylidene-1H-pyridin-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 160333243
N-[[2-(6-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide
CID 170544667
N-[[2-(7-cyclopropyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-1,6-naphthyridin-7-yl]methyl]-6-(difluoromethyl)-5-methylsulfonylpyridine-3-carboxamide
CID 170544772

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 161064030) is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is CNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1.CS(=O)(=O)c1cncnc1C1CCCN(c2ccc3ncnc(N)c3n2)C1.
What is the InChIKey of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is UDTSOYKWQRPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.C17H19N7O2S/c1-21-19(27)15-6-2-5-13(24-15)12-4-3-9-26(10-12)16-8-7-14-17(25-16)18(20)23-11-22-14;1-27(25,26)13-7-19-9-21-15(13)11-3-2-6-24(8-11)14-5-4-12-16(23-14)17(18)22-10-20-12/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23);4-5,7,9-11H,2-3,6,8H2,1H3,(H2,18,20,22).
What are the key properties of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 748.88 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide;6-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161064030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).