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

C20H21N5O3 — CID 58081321

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H21N5O3/c1-12-5-19(21)24-13(2)16(12)8-22-20(26)15-7-23-25(10-15)9-14-3-4-17-18(6-14)28-11-27-17/h3-7,10H,8-9,11H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyYZMKHZZIPJZJTR-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.18
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 58081321) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID58081321
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H21N5O3/c1-12-5-19(21)24-13(2)16(12)8-22-20(26)15-7-23-25(10-15)9-14-3-4-17-18(6-14)28-11-27-17/h3-7,10H,8-9,11H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyYZMKHZZIPJZJTR-UHFFFAOYSA-N
XLogP2.18
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-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

Related Compounds

7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086
(8e)-3-Amino-1-Methyl-15-[(1h-Pyrazol-1-Yl)methyl]-7,10,11,12,24,25-Hexahydro-6h,18h,23h-19,22-(Metheno)pyrido[4,3-J][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-One
CID 134131589
(5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-pyrrolidin-1-yl-methanone
CID 649451
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 56835923
N-[3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66555957
7-(difluoromethyl)-N-(3,4-dimethoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1093977
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 56836191
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646321
1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 648813
5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid sec-butylamide
CID 650644
5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 652094
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 653680

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide (CID 58081321) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is YZMKHZZIPJZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-5-19(21)24-13(2)16(12)8-22-20(26)15-7-23-25(10-15)9-14-3-4-17-18(6-14)28-11-27-17/h3-7,10H,8-9,11H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzodioxol-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58081321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).