N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide

C21H21N5O2 — CID 56836622

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccccc3o2)c1
InChIInChI=1S/C21H21N5O2/c1-13-7-20(22)25-14(2)18(13)10-23-21(27)16-9-24-26(11-16)12-17-8-15-5-3-4-6-19(15)28-17/h3-9,11H,10,12H2,1-2H3,(H2,22,25)(H,23,27)
InChIKeyYZWTUMFQPSCKHC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.20
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 56836622) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID56836622
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccccc3o2)c1
InChIInChI=1S/C21H21N5O2/c1-13-7-20(22)25-14(2)18(13)10-23-21(27)16-9-24-26(11-16)12-17-8-15-5-3-4-6-19(15)28-17/h3-9,11H,10,12H2,1-2H3,(H2,22,25)(H,23,27)
InChIKeyYZWTUMFQPSCKHC-UHFFFAOYSA-N
XLogP3.20
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-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 N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide (CID 56836622) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccccc3o2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is YZWTUMFQPSCKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-7-20(22)25-14(2)18(13)10-23-21(27)16-9-24-26(11-16)12-17-8-15-5-3-4-6-19(15)28-17/h3-9,11H,10,12H2,1-2H3,(H2,22,25)(H,23,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1-benzofuran-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 56836622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).