(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide

C16H20N4O2 — CID 164638285

IUPAC(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)c(=O)n1C
InChIInChI=1S/C16H20N4O2/c1-11-3-4-12(16(22)19(11)2)7-18-15(21)13-5-6-14-8-17-10-20(14)9-13/h3-4,8,10,13H,5-7,9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyKLCZXNNQFSQISS-ZDUSSCGKSA-N
MW300.36 g/mol
LogP0.77
Rot. Bonds3

About (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide

(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 164638285) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
PubChem CID164638285
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)c(=O)n1C
InChIInChI=1S/C16H20N4O2/c1-11-3-4-12(16(22)19(11)2)7-18-15(21)13-5-6-14-8-17-10-20(14)9-13/h3-4,8,10,13H,5-7,9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyKLCZXNNQFSQISS-ZDUSSCGKSA-N
XLogP0.77
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide (CID 164638285) is (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)c(=O)n1C.
What is the InChIKey of (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is KLCZXNNQFSQISS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-3-4-12(16(22)19(11)2)7-18-15(21)13-5-6-14-8-17-10-20(14)9-13/h3-4,8,10,13H,5-7,9H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide?
(6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 164638285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).