4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide

C21H25N7O — CID 155307415

IUPAC4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n(N)c3CN)cc2)c1
InChIInChI=1S/C21H25N7O/c1-13-8-10-25-18(11-13)26-21(29)15-6-4-14(5-7-15)19-17(12-22)28(23)20(27-19)16-3-2-9-24-16/h4-8,10-11,16,24H,2-3,9,12,22-23H2,1H3,(H,25,26,29)/t16-/m0/s1
InChIKeyYPLRTWSVCFKAOU-INIZCTEOSA-N
MW391.48 g/mol
LogP2.10
Rot. Bonds5

About 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide

4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 155307415) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID155307415
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n(N)c3CN)cc2)c1
InChIInChI=1S/C21H25N7O/c1-13-8-10-25-18(11-13)26-21(29)15-6-4-14(5-7-15)19-17(12-22)28(23)20(27-19)16-3-2-9-24-16/h4-8,10-11,16,24H,2-3,9,12,22-23H2,1H3,(H,25,26,29)/t16-/m0/s1
InChIKeyYPLRTWSVCFKAOU-INIZCTEOSA-N
XLogP2.10
TPSA123.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)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

3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-pyrrolidin-2-ylimidazole-4-carboxamide
CID 175076082
3-amino-5-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]-2-piperidin-2-ylimidazole-4-carboxamide
CID 175080909
3-amino-5-[4-[(5-fluoro-4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide
CID 155307248
3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-(3-methylbut-2-enoyl)pyrrolidin-2-yl]imidazole-4-carboxamide;3-amino-5-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]imidazole-4-carboxamide;3-methylbut-2-enoyl chloride
CID 167627471
3-amino-1-methyl-5-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-2H-imidazole-4-carboxamide
CID 155307412
4-(8-amino-3-piperidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(4-fluoro-2-pyridinyl)benzamide
CID 71226257
4-(8-amino-3-pyrrolidin-2-ylimidazo[1,5-a]pyrazin-1-yl)-N-(5-methyl-2-pyridinyl)benzamide;ethane
CID 145306186
[2-[[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]-4-pyridinyl] but-2-ynoate
CID 146369455
3-amino-2-[1-(2-fluoroprop-2-enoyl)piperidin-2-yl]-5-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307455
3-amino-5-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]-2-[(2S)-piperidin-2-yl]imidazole-4-carboxamide;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-[[4-(4-chlorophenyl)-2-pyridinyl]carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 167586623
N-(4-methyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971273
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;sulfane
CID 165008323

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide (CID 155307415) is 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4)n(N)c3CN)cc2)c1.
What is the InChIKey of 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is YPLRTWSVCFKAOU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13-8-10-25-18(11-13)26-21(29)15-6-4-14(5-7-15)19-17(12-22)28(23)20(27-19)16-3-2-9-24-16/h4-8,10-11,16,24H,2-3,9,12,22-23H2,1H3,(H,25,26,29)/t16-/m0/s1.
What are the key properties of 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide?
4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 391.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-5-(aminomethyl)-2-[(2S)-pyrrolidin-2-yl]imidazol-4-yl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 155307415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).