N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C21H24N4O4 — CID 47062005

IUPACN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(-n3cccn3)nc2)c(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-17-8-6-16(20(28-2)21(17)29-3)7-10-19(26)23-14-15-5-9-18(22-13-15)25-12-4-11-24-25/h4-6,8-9,11-13H,7,10,14H2,1-3H3,(H,23,26)
InChIKeyYYCPCSCCIAPAFM-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.54
Rot. Bonds9

About N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 47062005) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID47062005
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(-n3cccn3)nc2)c(OC)c1OC
InChIInChI=1S/C21H24N4O4/c1-27-17-8-6-16(20(28-2)21(17)29-3)7-10-19(26)23-14-15-5-9-18(22-13-15)25-12-4-11-24-25/h4-6,8-9,11-13H,7,10,14H2,1-3H3,(H,23,26)
InChIKeyYYCPCSCCIAPAFM-UHFFFAOYSA-N
XLogP2.54
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide 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

4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 47029950
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
3-(2,3-dimethoxyphenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55710397
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 25337635
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 47062005) is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccc(-n3cccn3)nc2)c(OC)c1OC.
What is the InChIKey of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is YYCPCSCCIAPAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-17-8-6-16(20(28-2)21(17)29-3)7-10-19(26)23-14-15-5-9-18(22-13-15)25-12-4-11-24-25/h4-6,8-9,11-13H,7,10,14H2,1-3H3,(H,23,26).
What are the key properties of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 396.45 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 47062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).