N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide

C21H20N2O — CID 3822763

IUPACN-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O/c24-21(18-12-11-16-7-1-2-8-17(16)15-18)22-19-9-3-4-10-20(19)23-13-5-6-14-23/h1-4,7-12,15H,5-6,13-14H2,(H,22,24)
InChIKeyCGVSQDRPHOCWHN-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.69
Rot. Bonds3

About N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide

N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide (PubChem CID 3822763) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
PubChem CID3822763
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O/c24-21(18-12-11-16-7-1-2-8-17(16)15-18)22-19-9-3-4-10-20(19)23-13-5-6-14-23/h1-4,7-12,15H,5-6,13-14H2,(H,22,24)
InChIKeyCGVSQDRPHOCWHN-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
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CID 532199
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
CID 53481919
CID 53481919
1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol-2(1H)-one
CID 9843889
N-[5-bromo-2-(piperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 11531641
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 24746277
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
CID 25023852
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro(4.5)decan-8-yl)ethyl)naphthalene-2-carboxamide
CID 25105715
N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218554
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218563

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide (CID 3822763) is N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
The InChIKey is CGVSQDRPHOCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(18-12-11-16-7-1-2-8-17(16)15-18)22-19-9-3-4-10-20(19)23-13-5-6-14-23/h1-4,7-12,15H,5-6,13-14H2,(H,22,24).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide?
N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 3822763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).