(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C19H23N3O2 — CID 56721302

IUPAC(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-12(2)21-18(23)17-10-14(20)11-22(17)19(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17H,10-11,20H2,1-2H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyCODWQAKMPPCNCR-PBHICJAKSA-N
MW325.41 g/mol
LogP1.91
Rot. Bonds3

About (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56721302) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56721302
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-12(2)21-18(23)17-10-14(20)11-22(17)19(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17H,10-11,20H2,1-2H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyCODWQAKMPPCNCR-PBHICJAKSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
Bunaftine
CID 36131
N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide
CID 46673962
Amiglumide
CID 10478431
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
Cc-11006
CID 10155135
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56721302) is (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CODWQAKMPPCNCR-PBHICJAKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)21-18(23)17-10-14(20)11-22(17)19(24)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17H,10-11,20H2,1-2H3,(H,21,23)/t14-,17+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(naphthalene-1-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56721302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).