3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide

C16H23N3O — CID 60926982

IUPAC3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H23N3O/c20-16(8-9-17-13-6-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20)
InChIKeyLAVSZAYMZMJDLW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds6

About 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide

3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 60926982) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID60926982
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNC1CC1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H23N3O/c20-16(8-9-17-13-6-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20)
InChIKeyLAVSZAYMZMJDLW-UHFFFAOYSA-N
XLogP2.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110426221
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CID 109013734
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
3-[3-(cyclopropylamino)propanoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 123380111

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 60926982) is 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNC1CC1)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is LAVSZAYMZMJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(8-9-17-13-6-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20).
What are the key properties of 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 60926982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).