N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide

C19H25N5O2 — CID 166618970

IUPACN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3ccn[nH]3)cc2)N1C
InChIInChI=1S/C19H25N5O2/c1-20-18(25)11-15-7-8-16(24(15)2)12-21-19(26)14-5-3-13(4-6-14)17-9-10-22-23-17/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)/t15-,16+/m1/s1
InChIKeyCAAOTLLTAKINGJ-CVEARBPZSA-N
MW355.44 g/mol
LogP1.41
Rot. Bonds6

About N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide

N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 166618970) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID166618970
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3ccn[nH]3)cc2)N1C
InChIInChI=1S/C19H25N5O2/c1-20-18(25)11-15-7-8-16(24(15)2)12-21-19(26)14-5-3-13(4-6-14)17-9-10-22-23-17/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)/t15-,16+/m1/s1
InChIKeyCAAOTLLTAKINGJ-CVEARBPZSA-N
XLogP1.41
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide 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

1-tert-butyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]pyrrole-3-carboxamide
CID 166617246
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-oxoquinazoline-7-carboxamide
CID 165420133
5-(difluoromethyl)-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 165425531
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
3-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenylimidazole-4-carboxamide
CID 165427598
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
6-chloro-3-fluoro-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 166617843
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 166613163
N-[[(2S,5R)-5-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]-4-methylbenzamide;formic acid
CID 171991869
N-(cyclopropylmethyl)-2-fluoro-5-(1H-pyrazol-5-yl)benzamide
CID 155956840
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 166624227

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide (CID 166618970) is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3ccn[nH]3)cc2)N1C.
What is the InChIKey of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is CAAOTLLTAKINGJ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-20-18(25)11-15-7-8-16(24(15)2)12-21-19(26)14-5-3-13(4-6-14)17-9-10-22-23-17/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3,(H,20,25)(H,21,26)(H,22,23)/t15-,16+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 166618970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).