3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

C20H26N4O — CID 125011392

IUPAC3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
SMILESCN1CCC[C@H]1CCNC(=O)c1ncccc1-c1cccc(CN)c1
InChIInChI=1S/C20H26N4O/c1-24-12-4-7-17(24)9-11-23-20(25)19-18(8-3-10-22-19)16-6-2-5-15(13-16)14-21/h2-3,5-6,8,10,13,17H,4,7,9,11-12,14,21H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyVPVACYMOPGYCKG-KRWDZBQOSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds6

About 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 125011392) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
PubChem CID125011392
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
SMILESCN1CCC[C@H]1CCNC(=O)c1ncccc1-c1cccc(CN)c1
InChIInChI=1S/C20H26N4O/c1-24-12-4-7-17(24)9-11-23-20(25)19-18(8-3-10-22-19)16-6-2-5-15(13-16)14-21/h2-3,5-6,8,10,13,17H,4,7,9,11-12,14,21H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyVPVACYMOPGYCKG-KRWDZBQOSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 166390484
3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 110122105
3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 110122116
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126443787
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175645040
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (CID 125011392) is 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is CN1CCC[C@H]1CCNC(=O)c1ncccc1-c1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is VPVACYMOPGYCKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24-12-4-7-17(24)9-11-23-20(25)19-18(8-3-10-22-19)16-6-2-5-15(13-16)14-21/h2-3,5-6,8,10,13,17H,4,7,9,11-12,14,21H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 125011392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).