N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide

C18H22N6O3S — CID 118712085

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(-c2cnc3nc(N)nc(C)c3c2)cnc1OC
InChIInChI=1S/C18H22N6O3S/c1-4-5-6-28(25,26)24-15-8-13(10-21-17(15)27-3)12-7-14-11(2)22-18(19)23-16(14)20-9-12/h7-10,24H,4-6H2,1-3H3,(H2,19,20,22,23)
InChIKeyHTRHRBUTSJIGLR-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.53
Rot. Bonds7

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide (PubChem CID 118712085) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide
PubChem CID118712085
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(-c2cnc3nc(N)nc(C)c3c2)cnc1OC
InChIInChI=1S/C18H22N6O3S/c1-4-5-6-28(25,26)24-15-8-13(10-21-17(15)27-3)12-7-14-11(2)22-18(19)23-16(14)20-9-12/h7-10,24H,4-6H2,1-3H3,(H2,19,20,22,23)
InChIKeyHTRHRBUTSJIGLR-UHFFFAOYSA-N
XLogP2.53
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide with MolForge

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Related Compounds

4-[[[4-[(1-Cyanocyclopropyl)amino]-6-(6-methoxy-3-pyridyl)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 58275326
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]quinazolin-2-amine
CID 163290870
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N-[5-[4-[[(3S)-1-acetylpyrrolidin-3-yl]amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 155520373
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155528302
N-[5-[4-[(1-acetylpiperidin-4-yl)amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 155539520
N-[2-methoxy-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 57545852
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876
4-(2-(6-Methoxypyridin-3-ylamino)-5-((1-(methylsulfonyl)piperidin-4-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548424
N-(2-(2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenylamino)pyrido[3,4-d]pyrimidin-8-yl)-2-methylpropane-2-sulfonamide
CID 73387068
N-[5-(2-Amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76321298

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide (CID 118712085) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(-c2cnc3nc(N)nc(C)c3c2)cnc1OC.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is HTRHRBUTSJIGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-4-5-6-28(25,26)24-15-8-13(10-21-17(15)27-3)12-7-14-11(2)22-18(19)23-16(14)20-9-12/h7-10,24H,4-6H2,1-3H3,(H2,19,20,22,23).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 402.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 118712085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).