2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide

C16H23N3O3 — CID 164639454

IUPAC2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CCNC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H23N3O3/c1-10(2)7-13-8-11(9-15(21)18-13)16(22)19-12-3-4-14(20)17-6-5-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyXVZSUVCOIGFJFX-LBPRGKRZSA-N
MW305.38 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide

2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide (PubChem CID 164639454) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide
PubChem CID164639454
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CCNC(=O)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H23N3O3/c1-10(2)7-13-8-11(9-15(21)18-13)16(22)19-12-3-4-14(20)17-6-5-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyXVZSUVCOIGFJFX-LBPRGKRZSA-N
XLogP0.97
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide (CID 164639454) is 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide is CC(C)Cc1cc(C(=O)N[C@@H]2CCNC(=O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide?
The InChIKey is XVZSUVCOIGFJFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10(2)7-13-8-11(9-15(21)18-13)16(22)19-12-3-4-14(20)17-6-5-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide?
2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-oxo-N-[(4S)-7-oxoazepan-4-yl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 164639454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).