6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide

C17H18ClN5O — CID 97060163

IUPAC6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCn1c([C@H](C)NC(=O)c2cnc(N)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H18ClN5O/c1-3-23-14-7-5-4-6-13(14)22-16(23)10(2)21-17(24)11-8-12(18)15(19)20-9-11/h4-10H,3H2,1-2H3,(H2,19,20)(H,21,24)/t10-/m0/s1
InChIKeyRKDJELASQPXTSH-JTQLQIEISA-N
MW343.82 g/mol
LogP3.18
Rot. Bonds4

About 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 97060163) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID97060163
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCn1c([C@H](C)NC(=O)c2cnc(N)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H18ClN5O/c1-3-23-14-7-5-4-6-13(14)22-16(23)10(2)21-17(24)11-8-12(18)15(19)20-9-11/h4-10H,3H2,1-2H3,(H2,19,20)(H,21,24)/t10-/m0/s1
InChIKeyRKDJELASQPXTSH-JTQLQIEISA-N
XLogP3.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 119866258
4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 60597747
N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 86858408
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide (CID 97060163) is 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide is CCn1c([C@H](C)NC(=O)c2cnc(N)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is RKDJELASQPXTSH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-3-23-14-7-5-4-6-13(14)22-16(23)10(2)21-17(24)11-8-12(18)15(19)20-9-11/h4-10H,3H2,1-2H3,(H2,19,20)(H,21,24)/t10-/m0/s1.
What are the key properties of 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 97060163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).