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

C20H23N7O — CID 90016765

IUPAC6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C20H23N7O/c1-26(2)20(28)16-7-3-6-14(24-16)13-5-4-10-27(11-13)17-9-8-15-18(25-17)19(21)23-12-22-15/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H2,21,22,23)
InChIKeyGVARTTGNTYFMRC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.09
Rot. Bonds3

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

6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 90016765) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID90016765
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(C2CCCN(c3ccc4ncnc(N)c4n3)C2)n1
InChIInChI=1S/C20H23N7O/c1-26(2)20(28)16-7-3-6-14(24-16)13-5-4-10-27(11-13)17-9-8-15-18(25-17)19(21)23-12-22-15/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H2,21,22,23)
InChIKeyGVARTTGNTYFMRC-UHFFFAOYSA-N
XLogP2.09
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
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,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide (CID 90016765) is 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=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,N-dimethylpyridine-2-carboxamide?
The InChIKey is GVARTTGNTYFMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-26(2)20(28)16-7-3-6-14(24-16)13-5-4-10-27(11-13)17-9-8-15-18(25-17)19(21)23-12-22-15/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide?
6-[1-(4-aminopyrido[3,2-d]pyrimidin-6-yl)piperidin-3-yl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 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,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 90016765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).