2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C25H30N6O2 — CID 110085277

IUPAC2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4)c(N)n3)CC2)c1C
InChIInChI=1S/C25H30N6O2/c1-3-20-16(2)22(30-29-20)25(33)31-13-11-18(12-14-31)21-10-9-19(23(26)28-21)24(32)27-15-17-7-5-4-6-8-17/h4-10,18H,3,11-15H2,1-2H3,(H2,26,28)(H,27,32)(H,29,30)
InChIKeyBKEOZUCKEOGJFN-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.21
Rot. Bonds6

About 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 110085277) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID110085277
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4)c(N)n3)CC2)c1C
InChIInChI=1S/C25H30N6O2/c1-3-20-16(2)22(30-29-20)25(33)31-13-11-18(12-14-31)21-10-9-19(23(26)28-21)24(32)27-15-17-7-5-4-6-8-17/h4-10,18H,3,11-15H2,1-2H3,(H2,26,28)(H,27,32)(H,29,30)
InChIKeyBKEOZUCKEOGJFN-UHFFFAOYSA-N
XLogP3.21
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]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-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 110085277) is 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CCc1[nH]nc(C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4)c(N)n3)CC2)c1C.
What is the InChIKey of 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BKEOZUCKEOGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-3-20-16(2)22(30-29-20)25(33)31-13-11-18(12-14-31)21-10-9-19(23(26)28-21)24(32)27-15-17-7-5-4-6-8-17/h4-10,18H,3,11-15H2,1-2H3,(H2,26,28)(H,27,32)(H,29,30).
What are the key properties of 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-6-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110085277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).