[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C25H31N5O2 — CID 23990632

IUPAC[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CC(N(Cc2ccccc2)C2CC2)CN1C(=O)c1cccnc1)N1CCNCC1
InChIInChI=1S/C25H31N5O2/c31-24(20-7-4-10-27-16-20)30-18-22(15-23(30)25(32)28-13-11-26-12-14-28)29(21-8-9-21)17-19-5-2-1-3-6-19/h1-7,10,16,21-23,26H,8-9,11-15,17-18H2
InChIKeyWZBYXHIRZPHJJP-UHFFFAOYSA-N
MW433.56 g/mol
LogP1.76
Rot. Bonds6

About [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 23990632) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID23990632
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CC(N(Cc2ccccc2)C2CC2)CN1C(=O)c1cccnc1)N1CCNCC1
InChIInChI=1S/C25H31N5O2/c31-24(20-7-4-10-27-16-20)30-18-22(15-23(30)25(32)28-13-11-26-12-14-28)29(21-8-9-21)17-19-5-2-1-3-6-19/h1-7,10,16,21-23,26H,8-9,11-15,17-18H2
InChIKeyWZBYXHIRZPHJJP-UHFFFAOYSA-N
XLogP1.76
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone 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

[4-[(3-methoxyphenyl)methyl-[(2-methylphenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23799980
[4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23765257
3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 23763372
[4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23857238
(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23961673
[4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23852580
[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 24730509
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
[4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 23850754
[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 91919144
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23905866

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 23990632) is [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C(C1CC(N(Cc2ccccc2)C2CC2)CN1C(=O)c1cccnc1)N1CCNCC1.
What is the InChIKey of [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is WZBYXHIRZPHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-24(20-7-4-10-27-16-20)30-18-22(15-23(30)25(32)28-13-11-26-12-14-28)29(21-8-9-21)17-19-5-2-1-3-6-19/h1-7,10,16,21-23,26H,8-9,11-15,17-18H2.
What are the key properties of [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 433.56 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 23990632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).