3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

C20H23N5O — CID 133416740

IUPAC3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C#N)n1
InChIInChI=1S/C20H23N5O/c1-15(22-19-9-5-7-17(14-21)23-19)12-20(26)24-16-6-4-8-18(13-16)25-10-2-3-11-25/h4-9,13,15H,2-3,10-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyWQXGVMACNTVBQK-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.38
Rot. Bonds6

About 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 133416740) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID133416740
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C#N)n1
InChIInChI=1S/C20H23N5O/c1-15(22-19-9-5-7-17(14-21)23-19)12-20(26)24-16-6-4-8-18(13-16)25-10-2-3-11-25/h4-9,13,15H,2-3,10-12H2,1H3,(H,22,23)(H,24,26)
InChIKeyWQXGVMACNTVBQK-UHFFFAOYSA-N
XLogP3.38
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
CID 122054475
6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392213
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-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107329
3-[(5-methylthiophen-2-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107315
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 133416740) is 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is CC(CC(=O)Nc1cccc(N2CCCC2)c1)Nc1cccc(C#N)n1.
What is the InChIKey of 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is WQXGVMACNTVBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(22-19-9-5-7-17(14-21)23-19)12-20(26)24-16-6-4-8-18(13-16)25-10-2-3-11-25/h4-9,13,15H,2-3,10-12H2,1H3,(H,22,23)(H,24,26).
What are the key properties of 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 349.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 133416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).