N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide

C20H28N4O — CID 71857290

IUPACN-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
SMILESCCCC(NCc1cc[nH]c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-2-6-19(22-15-16-9-10-21-14-16)20(25)23-17-7-5-8-18(13-17)24-11-3-4-12-24/h5,7-10,13-14,19,21-22H,2-4,6,11-12,15H2,1H3,(H,23,25)
InChIKeyMRFFHJRWBXGKOT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.51
Rot. Bonds8

About N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide

N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide (PubChem CID 71857290) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
PubChem CID71857290
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
SMILESCCCC(NCc1cc[nH]c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-2-6-19(22-15-16-9-10-21-14-16)20(25)23-17-7-5-8-18(13-17)24-11-3-4-12-24/h5,7-10,13-14,19,21-22H,2-4,6,11-12,15H2,1H3,(H,23,25)
InChIKeyMRFFHJRWBXGKOT-UHFFFAOYSA-N
XLogP3.51
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119107208
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
2-[(2-pyrrolidin-2-ylacetyl)amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119872875
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
5-(2-fluorophenyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]furan-2-carboxamide
CID 51133026
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
6-fluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1H-benzimidazole-4-carboxamide
CID 52526858
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide (CID 71857290) is N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide is CCCC(NCc1cc[nH]c1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide?
The InChIKey is MRFFHJRWBXGKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-6-19(22-15-16-9-10-21-14-16)20(25)23-17-7-5-8-18(13-17)24-11-3-4-12-24/h5,7-10,13-14,19,21-22H,2-4,6,11-12,15H2,1H3,(H,23,25).
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide?
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide has a molecular weight of 340.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide is sourced from PubChem (CID 71857290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).