6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide

C18H19N7O — CID 90016640

IUPAC6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C18H19N7O/c19-17-16-13(21-10-22-17)6-7-15(24-16)25-8-2-3-11(9-25)12-4-1-5-14(23-12)18(20)26/h1,4-7,10-11H,2-3,8-9H2,(H2,20,26)(H2,19,21,22)
InChIKeyJEMUDKPXVMOAPC-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.48
Rot. Bonds3

About 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide

6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 90016640) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide
PubChem CID90016640
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C18H19N7O/c19-17-16-13(21-10-22-17)6-7-15(24-16)25-8-2-3-11(9-25)12-4-1-5-14(23-12)18(20)26/h1,4-7,10-11H,2-3,8-9H2,(H2,20,26)(H2,19,21,22)
InChIKeyJEMUDKPXVMOAPC-UHFFFAOYSA-N
XLogP1.48
TPSA123.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(1,2-oxazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 175964602
6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055012
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
6-[3-(1,4-dimethylpyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017067
2-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]ethanimidamide
CID 146539577
6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016788
6-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016593
6-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine;6-(3-morpholin-4-ylpiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine;6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 158060122
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90016695
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-4-carboxamide
CID 75376691

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide (CID 90016640) is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide is NC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1.
What is the InChIKey of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is JEMUDKPXVMOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c19-17-16-13(21-10-22-17)6-7-15(24-16)25-8-2-3-11(9-25)12-4-1-5-14(23-12)18(20)26/h1,4-7,10-11H,2-3,8-9H2,(H2,20,26)(H2,19,21,22).
What are the key properties of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide?
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]pyridine-2-carboxamide is sourced from PubChem (CID 90016640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).