6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid

C20H24N4O3 — CID 122054475

IUPAC6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C20H24N4O3/c1-14(21-18-9-5-8-17(23-18)20(26)27)12-19(25)22-15-6-4-7-16(13-15)24-10-2-3-11-24/h4-9,13-14H,2-3,10-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)
InChIKeyIMODQUCJPNWYKW-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.21
Rot. Bonds7

About 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid

6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122054475) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID122054475
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C20H24N4O3/c1-14(21-18-9-5-8-17(23-18)20(26)27)12-19(25)22-15-6-4-7-16(13-15)24-10-2-3-11-24/h4-9,13-14H,2-3,10-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)
InChIKeyIMODQUCJPNWYKW-UHFFFAOYSA-N
XLogP3.21
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 133416740
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107329
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
3-[(5-methylthiophen-2-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107315
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
5-amino-2-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide;dihydrochloride
CID 120645944
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-(2-chlorophenyl)-1-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]pyrazole-4-carboxamide
CID 155946730

Frequently Asked Questions

What is the IUPAC name of 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid (CID 122054475) is 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid is CC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is IMODQUCJPNWYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(21-18-9-5-8-17(23-18)20(26)27)12-19(25)22-15-6-4-7-16(13-15)24-10-2-3-11-24/h4-9,13-14H,2-3,10-12H2,1H3,(H,21,23)(H,22,25)(H,26,27).
What are the key properties of 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid?
6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).