N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide

C26H33N3O2 — CID 171386076

IUPACN-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)c2cccc3ccccc23)N1CC1CC1)NC1CCC1
InChIInChI=1S/C26H33N3O2/c30-25(28-20-7-4-8-20)15-21-13-14-22(29(21)17-18-11-12-18)16-27-26(31)24-10-3-6-19-5-1-2-9-23(19)24/h1-3,5-6,9-10,18,20-22H,4,7-8,11-17H2,(H,27,31)(H,28,30)/t21-,22+/m1/s1
InChIKeyACRJFYHSPQNPSA-YADHBBJMSA-N
MW419.57 g/mol
LogP3.87
Rot. Bonds8

About N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide

N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 171386076) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID171386076
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(C[C@H]1CC[C@@H](CNC(=O)c2cccc3ccccc23)N1CC1CC1)NC1CCC1
InChIInChI=1S/C26H33N3O2/c30-25(28-20-7-4-8-20)15-21-13-14-22(29(21)17-18-11-12-18)16-27-26(31)24-10-3-6-19-5-1-2-9-23(19)24/h1-3,5-6,9-10,18,20-22H,4,7-8,11-17H2,(H,27,31)(H,28,30)/t21-,22+/m1/s1
InChIKeyACRJFYHSPQNPSA-YADHBBJMSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 171389752
N-[[(2S,5R)-5-[2-(cyclopropylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 170503896
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 171909572
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
N'-cyclohexylnaphthalene-1-carbohydrazide
CID 22613432
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
2-[(2R,5S)-5-(acetamidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 170508420
N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide
CID 167929325

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide (CID 171386076) is N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide is O=C(C[C@H]1CC[C@@H](CNC(=O)c2cccc3ccccc23)N1CC1CC1)NC1CCC1.
What is the InChIKey of N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is ACRJFYHSPQNPSA-YADHBBJMSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-25(28-20-7-4-8-20)15-21-13-14-22(29(21)17-18-11-12-18)16-27-26(31)24-10-3-6-19-5-1-2-9-23(19)24/h1-3,5-6,9-10,18,20-22H,4,7-8,11-17H2,(H,27,31)(H,28,30)/t21-,22+/m1/s1.
What are the key properties of N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide?
N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 171386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).