N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide

C25H25N3O2 — CID 42755975

IUPACN-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1
InChIInChI=1S/C25H25N3O2/c29-24(21-9-5-7-17-6-1-2-8-20(17)21)27-19-12-13-23(28-14-3-4-15-28)22(16-19)25(30)26-18-10-11-18/h1-2,5-9,12-13,16,18H,3-4,10-11,14-15H2,(H,26,30)(H,27,29)
InChIKeyZVQLGFDLATWRBT-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.58
Rot. Bonds5

About N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide

N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide (PubChem CID 42755975) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
PubChem CID42755975
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1
InChIInChI=1S/C25H25N3O2/c29-24(21-9-5-7-17-6-1-2-8-20(17)21)27-19-12-13-23(28-14-3-4-15-28)22(16-19)25(30)26-18-10-11-18/h1-2,5-9,12-13,16,18H,3-4,10-11,14-15H2,(H,26,30)(H,27,29)
InChIKeyZVQLGFDLATWRBT-UHFFFAOYSA-N
XLogP4.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
N-[4-piperidin-1-yl-3-(propylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 3320138
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4621165
5-[(2-bromophenyl)carbamoylamino]-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1065599
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
CID 1063518
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[[(2S)-2-chloro-2-phenylacetyl]amino]-N-cyclopropyl-2-piperidin-1-ylbenzamide
CID 1066243

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide (CID 42755975) is N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide is O=C(NC1CC1)c1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide?
The InChIKey is ZVQLGFDLATWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(21-9-5-7-17-6-1-2-8-20(17)21)27-19-12-13-23(28-14-3-4-15-28)22(16-19)25(30)26-18-10-11-18/h1-2,5-9,12-13,16,18H,3-4,10-11,14-15H2,(H,26,30)(H,27,29).
What are the key properties of N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide?
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).