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

C22H29ClN4O2 — CID 120915324

IUPACN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1cccnc1
InChIInChI=1S/C22H28N4O2.ClH/c27-22(17-3-2-10-23-14-17)26-18-8-6-16(7-9-18)13-25-20-5-1-4-19(20)21-15-28-12-11-24-21;/h2-3,6-10,14,19-21,24-25H,1,4-5,11-13,15H2,(H,26,27);1H
InChIKeyFXVQHKBJWZWHOK-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.00
Rot. Bonds6

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

N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 120915324) 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-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride
PubChem CID120915324
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC NameN-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1cccnc1
InChIInChI=1S/C22H28N4O2.ClH/c27-22(17-3-2-10-23-14-17)26-18-8-6-16(7-9-18)13-25-20-5-1-4-19(20)21-15-28-12-11-24-21;/h2-3,6-10,14,19-21,24-25H,1,4-5,11-13,15H2,(H,26,27);1H
InChIKeyFXVQHKBJWZWHOK-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

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Related Compounds

N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120915330
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870444
2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120799443
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915335
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916423
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
N-tert-butyl-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide;hydrochloride
CID 120915044
N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120913878

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride (CID 120915324) is N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(CNC2CCCC2C2COCCN2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is FXVQHKBJWZWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.ClH/c27-22(17-3-2-10-23-14-17)26-18-8-6-16(7-9-18)13-25-20-5-1-4-19(20)21-15-28-12-11-24-21;/h2-3,6-10,14,19-21,24-25H,1,4-5,11-13,15H2,(H,26,27);1H.
What are the key properties of N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-carboxamide;hydrochloride?
N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-3-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-3-carboxamide;hydrochloride is sourced from PubChem (CID 120915324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).