3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

C20H26N4O — CID 119107312

IUPAC3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccncc1
InChIInChI=1S/C20H26N4O/c1-16(22-15-17-7-9-21-10-8-17)13-20(25)23-18-5-4-6-19(14-18)24-11-2-3-12-24/h4-10,14,16,22H,2-3,11-13,15H2,1H3,(H,23,25)
InChIKeyKTKPAQJSFSKHPC-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.19
Rot. Bonds7

About 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 119107312) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID119107312
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccncc1
InChIInChI=1S/C20H26N4O/c1-16(22-15-17-7-9-21-10-8-17)13-20(25)23-18-5-4-6-19(14-18)24-11-2-3-12-24/h4-10,14,16,22H,2-3,11-13,15H2,1H3,(H,23,25)
InChIKeyKTKPAQJSFSKHPC-UHFFFAOYSA-N
XLogP3.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
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
(3R)-N-phenyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 97187053
6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
CID 122054475
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 133416740
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 119107312) is 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is CC(CC(=O)Nc1cccc(N2CCCC2)c1)NCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is KTKPAQJSFSKHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(22-15-17-7-9-21-10-8-17)13-20(25)23-18-5-4-6-19(14-18)24-11-2-3-12-24/h4-10,14,16,22H,2-3,11-13,15H2,1H3,(H,23,25).
What are the key properties of 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 338.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 119107312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).