N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide

C20H24N4O2 — CID 133366514

IUPACN-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
SMILESCCC(=O)N1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O2/c1-2-19(25)24-11-9-17(14-24)23-16-8-10-21-18(12-16)20(26)22-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,21,23)(H,22,26)
InChIKeyWYGGLKGJLCBXPG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.43
Rot. Bonds6

About N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide

N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide (PubChem CID 133366514) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
PubChem CID133366514
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
SMILESCCC(=O)N1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O2/c1-2-19(25)24-11-9-17(14-24)23-16-8-10-21-18(12-16)20(26)22-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,21,23)(H,22,26)
InChIKeyWYGGLKGJLCBXPG-UHFFFAOYSA-N
XLogP2.43
TPSA74.33 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201908
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid
CID 122060653
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
N-[(2-chlorophenyl)methyl]-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109201907
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide (CID 133366514) is N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide is CCC(=O)N1CCC(Nc2ccnc(C(=O)NCc3ccccc3)c2)C1.
What is the InChIKey of N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is WYGGLKGJLCBXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-19(25)24-11-9-17(14-24)23-16-8-10-21-18(12-16)20(26)22-13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H,21,23)(H,22,26).
What are the key properties of N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide?
N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 133366514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).