5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

C27H30Cl2N6O2 — CID 53322503

IUPAC5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(C(=O)c4ccnc5cc(Cl)ccc45)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C27H30Cl2N6O2/c1-17-16-34(25-23(29)13-18(15-32-25)26(36)30-2)11-12-35(17)20-6-9-33(10-7-20)27(37)22-5-8-31-24-14-19(28)3-4-21(22)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H,30,36)/t17-/m0/s1
InChIKeyHZCDSXBJXLUGNS-KRWDZBQOSA-N
MW541.48 g/mol
LogP4.11
Rot. Bonds4

About 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 53322503) has the molecular formula C27H30Cl2N6O2 and a molecular weight of 541.48 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID53322503
Molecular FormulaC27H30Cl2N6O2
Molecular Weight541.48 g/mol
Exact Mass540.18
IUPAC Name5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(C(=O)c4ccnc5cc(Cl)ccc45)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C27H30Cl2N6O2/c1-17-16-34(25-23(29)13-18(15-32-25)26(36)30-2)11-12-35(17)20-6-9-33(10-7-20)27(37)22-5-8-31-24-14-19(28)3-4-21(22)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H,30,36)/t17-/m0/s1
InChIKeyHZCDSXBJXLUGNS-KRWDZBQOSA-N
XLogP4.11
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 53322503) is 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN(C(=O)c4ccnc5cc(Cl)ccc45)CC3)[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is HZCDSXBJXLUGNS-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30Cl2N6O2/c1-17-16-34(25-23(29)13-18(15-32-25)26(36)30-2)11-12-35(17)20-6-9-33(10-7-20)27(37)22-5-8-31-24-14-19(28)3-4-21(22)24/h3-5,8,13-15,17,20H,6-7,9-12,16H2,1-2H3,(H,30,36)/t17-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 541.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-(7-chloroquinoline-4-carbonyl)piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 53322503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).