N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide

C20H22N8O — CID 56835859

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C20H22N8O/c1-12-6-19(21)24-13(2)16(12)9-22-20(29)15-8-23-28(11-15)10-14-4-5-18-17(7-14)25-26-27(18)3/h4-8,11H,9-10H2,1-3H3,(H2,21,24)(H,22,29)
InChIKeyXBPJTCIEOJFPKF-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.74
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56835859) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID56835859
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C20H22N8O/c1-12-6-19(21)24-13(2)16(12)9-22-20(29)15-8-23-28(11-15)10-14-4-5-18-17(7-14)25-26-27(18)3/h4-8,11H,9-10H2,1-3H3,(H2,21,24)(H,22,29)
InChIKeyXBPJTCIEOJFPKF-UHFFFAOYSA-N
XLogP1.74
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]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-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide (CID 56835859) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)nnn3C)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is XBPJTCIEOJFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-12-6-19(21)24-13(2)16(12)9-22-20(29)15-8-23-28(11-15)10-14-4-5-18-17(7-14)25-26-27(18)3/h4-8,11H,9-10H2,1-3H3,(H2,21,24)(H,22,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methylbenzotriazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56835859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).