5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide

C13H11Cl2N3O — CID 155965739

IUPAC5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c1-8(12-3-2-10(14)7-17-12)18-13(19)9-4-11(15)6-16-5-9/h2-8H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyIWMRUHDOJWSFQC-QMMMGPOBSA-N
MW296.16 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide

5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 155965739) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
PubChem CID155965739
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(Cl)cn1
InChIInChI=1S/C13H11Cl2N3O/c1-8(12-3-2-10(14)7-17-12)18-13(19)9-4-11(15)6-16-5-9/h2-8H,1H3,(H,18,19)/t8-/m0/s1
InChIKeyIWMRUHDOJWSFQC-QMMMGPOBSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide
CID 99791163
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 99828961
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
4-tert-butyl-N-[3-[[(1R)-1-(5-chloro-2-pyridinyl)ethyl]amino]-3-oxopropyl]benzamide
CID 100685171
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide (CID 155965739) is 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IWMRUHDOJWSFQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-8(12-3-2-10(14)7-17-12)18-13(19)9-4-11(15)6-16-5-9/h2-8H,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide?
5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 155965739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).