(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide

C25H30N6O — CID 95100909

IUPAC(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C25H30N6O/c1-29(17-19-6-8-21(9-7-19)30-12-2-3-13-30)25(32)20-5-4-14-31(18-20)22-15-23-24(28-16-22)27-11-10-26-23/h6-11,15-16,20H,2-5,12-14,17-18H2,1H3/t20-/m1/s1
InChIKeyBGHYXRDOWOAQOH-HXUWFJFHSA-N
MW430.56 g/mol
LogP3.50
Rot. Bonds5

About (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 95100909) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID95100909
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C25H30N6O/c1-29(17-19-6-8-21(9-7-19)30-12-2-3-13-30)25(32)20-5-4-14-31(18-20)22-15-23-24(28-16-22)27-11-10-26-23/h6-11,15-16,20H,2-5,12-14,17-18H2,1H3/t20-/m1/s1
InChIKeyBGHYXRDOWOAQOH-HXUWFJFHSA-N
XLogP3.50
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-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-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100846
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100843
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 53166017
N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
N-(2-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839394
N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839339
(4-pyridin-2-ylpiperazin-1-yl)-[(3S)-1-pyrido[2,3-b]pyrazin-7-ylpiperidin-3-yl]methanone
CID 95100890

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 95100909) is (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide is CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1.
What is the InChIKey of (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BGHYXRDOWOAQOH-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N6O/c1-29(17-19-6-8-21(9-7-19)30-12-2-3-13-30)25(32)20-5-4-14-31(18-20)22-15-23-24(28-16-22)27-11-10-26-23/h6-11,15-16,20H,2-5,12-14,17-18H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95100909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).