N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide

C15H16N2O — CID 79689471

IUPACN-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c18-15(17-12-8-9-16-10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyYWLVQSWPVSXTMT-LBPRGKRZSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds2

About N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide

N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide (PubChem CID 79689471) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
PubChem CID79689471
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c18-15(17-12-8-9-16-10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10H2,(H,17,18)/t12-/m0/s1
InChIKeyYWLVQSWPVSXTMT-LBPRGKRZSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
N-piperidin-4-yl-2H-isoindole-4-carboxamide
CID 175803633
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
CID 112530853
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-methylsulfanyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79688478
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide (CID 79689471) is N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide is O=C(N[C@H]1CCNC1)c1cccc2ccccc12.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is YWLVQSWPVSXTMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(17-12-8-9-16-10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,16H,8-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide?
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 79689471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).