6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C25H31ClN4O2 — CID 166131232

IUPAC6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cn2)cc1Cl
InChIInChI=1S/C25H31ClN4O2/c1-18(31)30(17-19-5-6-19)24-10-8-20(15-22(24)26)23-9-7-21(16-28-23)25(32)27-11-14-29-12-3-2-4-13-29/h7-10,15-16,19H,2-6,11-14,17H2,1H3,(H,27,32)
InChIKeyHVGLZDTXKWKEGT-UHFFFAOYSA-N
MW455.00 g/mol
LogP4.38
Rot. Bonds8

About 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 166131232) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID166131232
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cn2)cc1Cl
InChIInChI=1S/C25H31ClN4O2/c1-18(31)30(17-19-5-6-19)24-10-8-20(15-22(24)26)23-9-7-21(16-28-23)25(32)27-11-14-29-12-3-2-4-13-29/h7-10,15-16,19H,2-6,11-14,17H2,1H3,(H,27,32)
InChIKeyHVGLZDTXKWKEGT-UHFFFAOYSA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[2-(6-isocyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 172500675
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884802
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166131077
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
CID 167199889
6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166130990
6-[4-[acetyl(cyclopropylmethyl)amino]-3-cyanophenyl]-N-methylpyridine-3-carboxamide
CID 166131221
methyl 2-[acetyl(cyclopropylmethyl)amino]-5-[5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2-pyridinyl]benzoate
CID 166131041
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166131002
6-(4-methyl-1,3-thiazol-5-yl)-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 110111087

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 166131232) is 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is CC(=O)N(CC1CC1)c1ccc(-c2ccc(C(=O)NCCN3CCCCC3)cn2)cc1Cl.
What is the InChIKey of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is HVGLZDTXKWKEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-18(31)30(17-19-5-6-19)24-10-8-20(15-22(24)26)23-9-7-21(16-28-23)25(32)27-11-14-29-12-3-2-4-13-29/h7-10,15-16,19H,2-6,11-14,17H2,1H3,(H,27,32).
What are the key properties of 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166131232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).