N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide

C19H22N4O2 — CID 120809661

IUPACN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC1(CN)CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1
InChIInChI=1S/C19H22N4O2/c1-19(12-20)7-9-23(13-19)18(25)14-4-2-6-16(10-14)22-17(24)15-5-3-8-21-11-15/h2-6,8,10-11H,7,9,12-13,20H2,1H3,(H,22,24)
InChIKeyZEPOZYQFOWEQQM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.14
Rot. Bonds4

About N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide

N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide (PubChem CID 120809661) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
PubChem CID120809661
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
SMILESCC1(CN)CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1
InChIInChI=1S/C19H22N4O2/c1-19(12-20)7-9-23(13-19)18(25)14-4-2-6-16(10-14)22-17(24)15-5-3-8-21-11-15/h2-6,8,10-11H,7,9,12-13,20H2,1H3,(H,22,24)
InChIKeyZEPOZYQFOWEQQM-UHFFFAOYSA-N
XLogP2.14
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 120807953
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 120804908
N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 119047654
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 120807745
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
(3aS,6aR)-2-[3-(pyridine-3-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683411
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide (CID 120809661) is N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide is CC1(CN)CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1.
What is the InChIKey of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZEPOZYQFOWEQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(12-20)7-9-23(13-19)18(25)14-4-2-6-16(10-14)22-17(24)15-5-3-8-21-11-15/h2-6,8,10-11H,7,9,12-13,20H2,1H3,(H,22,24).
What are the key properties of N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide?
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 120809661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).