6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide

C27H26ClN5O2 — CID 123500701

IUPAC6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESNC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3c[nH]c4cc(Cl)ccc4c3=O)cn2)CC1
InChIInChI=1S/C27H26ClN5O2/c28-19-7-8-21-23(14-19)30-16-22(26(21)34)25(17-4-2-1-3-5-17)32-27(35)18-6-9-24(31-15-18)33-12-10-20(29)11-13-33/h1-9,14-16,20,25H,10-13,29H2,(H,30,34)(H,32,35)
InChIKeyUMVVEMZGPNGHLV-UHFFFAOYSA-N
MW487.99 g/mol
LogP4.02
Rot. Bonds5

About 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide

6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 123500701) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID123500701
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC Name6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESNC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3c[nH]c4cc(Cl)ccc4c3=O)cn2)CC1
InChIInChI=1S/C27H26ClN5O2/c28-19-7-8-21-23(14-19)30-16-22(26(21)34)25(17-4-2-1-3-5-17)32-27(35)18-6-9-24(31-15-18)33-12-10-20(29)11-13-33/h1-9,14-16,20,25H,10-13,29H2,(H,30,34)(H,32,35)
InChIKeyUMVVEMZGPNGHLV-UHFFFAOYSA-N
XLogP4.02
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-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

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 123588831
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 71208528
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 123327721
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
CID 71208128
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 123871770
piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597279
(2-morpholin-4-yl-1,3-thiazol-5-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597198
(1-methylpyrazol-4-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597244
methyl 4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 71208737
tert-butyl 3-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71208614
tert-butyl N-[4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexyl]carbamate
CID 71208469
6-(4-aminopiperidin-1-yl)pyridine-3-carboxylic acid;N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 159189130

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide (CID 123500701) is 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide is NC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3c[nH]c4cc(Cl)ccc4c3=O)cn2)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is UMVVEMZGPNGHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c28-19-7-8-21-23(14-19)30-16-22(26(21)34)25(17-4-2-1-3-5-17)32-27(35)18-6-9-24(31-15-18)33-12-10-20(29)11-13-33/h1-9,14-16,20,25H,10-13,29H2,(H,30,34)(H,32,35).
What are the key properties of 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide?
6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 487.99 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 123500701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).