2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C23H29N5O2 — CID 126671603

IUPAC2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(N)c(C(N)=O)c2)ccc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H29N5O2/c1-15-12-16(17-13-20(22(25)29)21(24)26-14-17)4-5-19(15)23(30)28-10-6-18(7-11-28)27-8-2-3-9-27/h4-5,12-14,18H,2-3,6-11H2,1H3,(H2,24,26)(H2,25,29)
InChIKeyBOTMAKWPJSBADI-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 126671603) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID126671603
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(N)c(C(N)=O)c2)ccc1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H29N5O2/c1-15-12-16(17-13-20(22(25)29)21(24)26-14-17)4-5-19(15)23(30)28-10-6-18(7-11-28)27-8-2-3-9-27/h4-5,12-14,18H,2-3,6-11H2,1H3,(H2,24,26)(H2,25,29)
InChIKeyBOTMAKWPJSBADI-UHFFFAOYSA-N
XLogP2.44
TPSA105.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 126671603) is 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is Cc1cc(-c2cnc(N)c(C(N)=O)c2)ccc1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BOTMAKWPJSBADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-12-16(17-13-20(22(25)29)21(24)26-14-17)4-5-19(15)23(30)28-10-6-18(7-11-28)27-8-2-3-9-27/h4-5,12-14,18H,2-3,6-11H2,1H3,(H2,24,26)(H2,25,29).
What are the key properties of 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 126671603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).