3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide

C19H24N4O — CID 39112705

IUPAC3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESNc1cc(CCC(=O)NCc2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C19H24N4O/c20-17-13-15(3-5-18(17)23-11-1-2-12-23)4-6-19(24)22-14-16-7-9-21-10-8-16/h3,5,7-10,13H,1-2,4,6,11-12,14,20H2,(H,22,24)
InChIKeyWSSCTBQLWANLOW-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.51
Rot. Bonds6

About 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 39112705) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID39112705
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESNc1cc(CCC(=O)NCc2ccncc2)ccc1N1CCCC1
InChIInChI=1S/C19H24N4O/c20-17-13-15(3-5-18(17)23-11-1-2-12-23)4-6-19(24)22-14-16-7-9-21-10-8-16/h3,5,7-10,13H,1-2,4,6,11-12,14,20H2,(H,22,24)
InChIKeyWSSCTBQLWANLOW-UHFFFAOYSA-N
XLogP2.51
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
CID 39112746
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783
3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35619171
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
CID 39112865
3-pyridin-4-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
CID 126834604
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 39112705) is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide is Nc1cc(CCC(=O)NCc2ccncc2)ccc1N1CCCC1.
What is the InChIKey of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is WSSCTBQLWANLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-17-13-15(3-5-18(17)23-11-1-2-12-23)4-6-19(24)22-14-16-7-9-21-10-8-16/h3,5,7-10,13H,1-2,4,6,11-12,14,20H2,(H,22,24).
What are the key properties of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 39112705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).