5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

C24H30Cl3N5O — CID 53318510

IUPAC5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4Cl)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C24H30Cl3N5O/c1-16-14-31(23-22(27)11-18(13-29-23)24(33)28-2)9-10-32(16)20-5-7-30(8-6-20)15-17-3-4-19(25)12-21(17)26/h3-4,11-13,16,20H,5-10,14-15H2,1-2H3,(H,28,33)/t16-/m0/s1
InChIKeyFYCDEDPNQQTXCA-INIZCTEOSA-N
MW510.90 g/mol
LogP4.58
Rot. Bonds5

About 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide

5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 53318510) has the molecular formula C24H30Cl3N5O and a molecular weight of 510.90 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID53318510
Molecular FormulaC24H30Cl3N5O
Molecular Weight510.90 g/mol
Exact Mass509.15
IUPAC Name5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4Cl)CC3)[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C24H30Cl3N5O/c1-16-14-31(23-22(27)11-18(13-29-23)24(33)28-2)9-10-32(16)20-5-7-30(8-6-20)15-17-3-4-19(25)12-21(17)26/h3-4,11-13,16,20H,5-10,14-15H2,1-2H3,(H,28,33)/t16-/m0/s1
InChIKeyFYCDEDPNQQTXCA-INIZCTEOSA-N
XLogP4.58
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide (CID 53318510) is 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(Cl)cc4Cl)CC3)[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is FYCDEDPNQQTXCA-INIZCTEOSA-N. The full InChI is InChI=1S/C24H30Cl3N5O/c1-16-14-31(23-22(27)11-18(13-29-23)24(33)28-2)9-10-32(16)20-5-7-30(8-6-20)15-17-3-4-19(25)12-21(17)26/h3-4,11-13,16,20H,5-10,14-15H2,1-2H3,(H,28,33)/t16-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide?
5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 510.90 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 53318510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).