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

C19H21N7O — CID 90016729

IUPAC6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C19H21N7O/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/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23)
InChIKeyCTZIDRLYAALWJU-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.75
Rot. Bonds3

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

6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 90016729) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID90016729
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C19H21N7O/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/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23)
InChIKeyCTZIDRLYAALWJU-UHFFFAOYSA-N
XLogP1.75
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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?
The IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide (CID 90016729) is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide is CNC(=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]-N-methylpyridine-2-carboxamide?
The InChIKey is CTZIDRLYAALWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/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/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,21,27)(H2,20,22,23).
What are the key properties of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide?
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.75, 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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90016729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).