N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide

C20H24N4O2 — CID 47055371

IUPACN-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
SMILESO=C(CCNC(=O)c1ccncc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c25-19(8-12-22-20(26)17-6-10-21-11-7-17)23-14-16-9-13-24(15-16)18-4-2-1-3-5-18/h1-7,10-11,16H,8-9,12-15H2,(H,22,26)(H,23,25)
InChIKeySNBZWGMVMDTLTQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.84
Rot. Bonds7

About N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide

N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide (PubChem CID 47055371) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
PubChem CID47055371
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
SMILESO=C(CCNC(=O)c1ccncc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H24N4O2/c25-19(8-12-22-20(26)17-6-10-21-11-7-17)23-14-16-9-13-24(15-16)18-4-2-1-3-5-18/h1-7,10-11,16H,8-9,12-15H2,(H,22,26)(H,23,25)
InChIKeySNBZWGMVMDTLTQ-UHFFFAOYSA-N
XLogP1.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 55652195
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94506490
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide (CID 47055371) is N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide is O=C(CCNC(=O)c1ccncc1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide?
The InChIKey is SNBZWGMVMDTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(8-12-22-20(26)17-6-10-21-11-7-17)23-14-16-9-13-24(15-16)18-4-2-1-3-5-18/h1-7,10-11,16H,8-9,12-15H2,(H,22,26)(H,23,25).
What are the key properties of N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide?
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 47055371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).