N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride

C25H28Cl2N4O — CID 127042281

IUPACN-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H
InChIKeyUSVZGTQLVOQHII-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.29
Rot. Bonds7

About N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride

N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 127042281) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID127042281
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC NameN-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H
InChIKeyUSVZGTQLVOQHII-UHFFFAOYSA-N
XLogP4.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Boscalid
CID 213013
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide
CID 9826580
PG-01037
CID 11477180
Tagorizine
CID 6436051
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CID 67120985
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
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5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-carboxamide
CID 10173396
N-(2-aminophenyl)-4-(3-chloro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11597868
n-(2-Aminophenyl)-4-{3-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
CID 11712071
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10835365

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride (CID 127042281) is N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is USVZGTQLVOQHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H.
What are the key properties of N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 471.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 127042281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).