6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide

C14H14ClN3O — CID 112722842

IUPAC6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(N)=O)cn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-9(11-4-2-3-5-12(11)15)18-13-7-6-10(8-17-13)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyXOIIHLHTBBVSER-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.01
Rot. Bonds4

About 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide

6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 112722842) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
PubChem CID112722842
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(N)=O)cn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O/c1-9(11-4-2-3-5-12(11)15)18-13-7-6-10(8-17-13)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)
InChIKeyXOIIHLHTBBVSER-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
2-[(5-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110982
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83268375
5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide
CID 115657823
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide (CID 112722842) is 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide is CC(Nc1ccc(C(N)=O)cn1)c1ccccc1Cl.
What is the InChIKey of 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is XOIIHLHTBBVSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9(11-4-2-3-5-12(11)15)18-13-7-6-10(8-17-13)14(16)19/h2-9H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide?
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 112722842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).