N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

C20H24N4O2 — CID 119483544

IUPACN-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESNCC1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C1
InChIInChI=1S/C20H24N4O2/c21-12-16-8-10-24(14-16)20(26)18(11-15-5-2-1-3-6-15)23-19(25)17-7-4-9-22-13-17/h1-7,9,13,16,18H,8,10-12,14,21H2,(H,23,25)
InChIKeyHIQVKXZLMWRHPC-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.23
Rot. Bonds6

About N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide

N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 119483544) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
PubChem CID119483544
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
SMILESNCC1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C1
InChIInChI=1S/C20H24N4O2/c21-12-16-8-10-24(14-16)20(26)18(11-15-5-2-1-3-6-15)23-19(25)17-7-4-9-22-13-17/h1-7,9,13,16,18H,8,10-12,14,21H2,(H,23,25)
InChIKeyHIQVKXZLMWRHPC-UHFFFAOYSA-N
XLogP1.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
CID 119635385
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 45370048
N-[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 166217047
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 119635458
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 29147511
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119635457
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-benzyl-3-methylbutan-1-one
CID 119484206
N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 166200211
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 119483544) is N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is NCC1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2cccnc2)C1.
What is the InChIKey of N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
The InChIKey is HIQVKXZLMWRHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-12-16-8-10-24(14-16)20(26)18(11-15-5-2-1-3-6-15)23-19(25)17-7-4-9-22-13-17/h1-7,9,13,16,18H,8,10-12,14,21H2,(H,23,25).
What are the key properties of N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide?
N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 119483544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).