N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

C16H17N5O2 — CID 97198109

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C16H17N5O2/c22-15(21-13-3-1-2-6-18-16(13)23)12-9-19-14(20-10-12)11-4-7-17-8-5-11/h4-5,7-10,13H,1-3,6H2,(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyVJIMSBXWDMMTHD-ZDUSSCGKSA-N
MW311.35 g/mol
LogP0.94
Rot. Bonds3

About N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide

N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 97198109) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID97198109
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCCNC1=O)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C16H17N5O2/c22-15(21-13-3-1-2-6-18-16(13)23)12-9-19-14(20-10-12)11-4-7-17-8-5-11/h4-5,7-10,13H,1-3,6H2,(H,18,23)(H,21,22)/t13-/m0/s1
InChIKeyVJIMSBXWDMMTHD-ZDUSSCGKSA-N
XLogP0.94
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 97199538
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
5-hydroxy-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 55258653
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
3-ethoxy-N-(2-oxoazepan-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55814883
4-(3-methoxy-4-pyridinyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 163309986
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
6-(3-bromophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55814280

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 97198109) is N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is O=C(N[C@H]1CCCCNC1=O)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is VJIMSBXWDMMTHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15(21-13-3-1-2-6-18-16(13)23)12-9-19-14(20-10-12)11-4-7-17-8-5-11/h4-5,7-10,13H,1-3,6H2,(H,18,23)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97198109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).