N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride

C19H25ClN2O — CID 69121731

IUPACN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17;/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3;1H/t18-;/m0./s1
InChIKeyUIOBUZCRQYCLQJ-FERBBOLQSA-N
MW332.88 g/mol
LogP3.72
Rot. Bonds4

About N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride

N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 69121731) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
PubChem CID69121731
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride
SMILESCC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17;/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3;1H/t18-;/m0./s1
InChIKeyUIOBUZCRQYCLQJ-FERBBOLQSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.72
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]quinoline-6-carboxamide
CID 11426487
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 141107759
N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
CID 142975144
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
3,4-dichloro-2-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11427456
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride (CID 69121731) is N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride is CC(C)CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCNC1.Cl.
What is the InChIKey of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is UIOBUZCRQYCLQJ-FERBBOLQSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-14(2)13-21(18-9-10-20-12-18)19(22)17-8-7-15-5-3-4-6-16(15)11-17;/h3-8,11,14,18,20H,9-10,12-13H2,1-2H3;1H/t18-;/m0./s1.
What are the key properties of N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride?
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 69121731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).