N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride

C22H29ClN4O2 — CID 120915330

IUPACN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1ccncc1
InChIInChI=1S/C22H28N4O2.ClH/c27-22(17-8-10-23-11-9-17)26-18-6-4-16(5-7-18)14-25-20-3-1-2-19(20)21-15-28-13-12-24-21;/h4-11,19-21,24-25H,1-3,12-15H2,(H,26,27);1H
InChIKeyBFCFURYAPQIHKT-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride

N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 120915330) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID120915330
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC NameN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1ccncc1
InChIInChI=1S/C22H28N4O2.ClH/c27-22(17-8-10-23-11-9-17)26-18-6-4-16(5-7-18)14-25-20-3-1-2-19(20)21-15-28-13-12-24-21;/h4-11,19-21,24-25H,1-3,12-15H2,(H,26,27);1H
InChIKeyBFCFURYAPQIHKT-UHFFFAOYSA-N
XLogP3.00
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride 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-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride
CID 120915324
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120915797
1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120914014
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915033
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
1-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120914835
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915209
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915193
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride (CID 120915330) is N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1ccncc1.
What is the InChIKey of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is BFCFURYAPQIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.ClH/c27-22(17-8-10-23-11-9-17)26-18-6-4-16(5-7-18)14-25-20-3-1-2-19(20)21-15-28-13-12-24-21;/h4-11,19-21,24-25H,1-3,12-15H2,(H,26,27);1H.
What are the key properties of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride?
N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120915330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).