N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide

C19H24N2O — CID 141107759

IUPACN-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCCCCN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O/c1-2-3-12-21(18-10-11-20-14-18)19(22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,2-3,10-12,14H2,1H3/t18-/m0/s1
InChIKeyVCQWUNXILTXWOG-SFHVURJKSA-N
MW296.41 g/mol
LogP3.44
Rot. Bonds5

About N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide

N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 141107759) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID141107759
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCCCCN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1
InChIInChI=1S/C19H24N2O/c1-2-3-12-21(18-10-11-20-14-18)19(22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,2-3,10-12,14H2,1H3/t18-/m0/s1
InChIKeyVCQWUNXILTXWOG-SFHVURJKSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-[(3R)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 11323940
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
CID 69121731
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-piperidin-3-yl-N-propyl-1H-indole-6-carboxamide
CID 63748800
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide (CID 141107759) is N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide is CCCCN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1.
What is the InChIKey of N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is VCQWUNXILTXWOG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-12-21(18-10-11-20-14-18)19(22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,13,18,20H,2-3,10-12,14H2,1H3/t18-/m0/s1.
What are the key properties of N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide?
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 141107759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).