3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

C20H21ClN4O — CID 122274401

IUPAC3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2ccc(-c3cnn(C)c3)nc2)ccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-14-9-15(3-6-18(14)21)5-8-20(26)23-11-16-4-7-19(22-10-16)17-12-24-25(2)13-17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,26)
InChIKeyOAZWJNWPCRLCIX-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.69
Rot. Bonds6

About 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide

3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 122274401) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
PubChem CID122274401
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1cc(CCC(=O)NCc2ccc(-c3cnn(C)c3)nc2)ccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-14-9-15(3-6-18(14)21)5-8-20(26)23-11-16-4-7-19(22-10-16)17-12-24-25(2)13-17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,26)
InChIKeyOAZWJNWPCRLCIX-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122274396
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
3-(3,4-dichlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275297
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
2-cyclopentyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274308
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
2-(4-chlorophenoxy)-2-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121022514

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide (CID 122274401) is 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is Cc1cc(CCC(=O)NCc2ccc(-c3cnn(C)c3)nc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is OAZWJNWPCRLCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14-9-15(3-6-18(14)21)5-8-20(26)23-11-16-4-7-19(22-10-16)17-12-24-25(2)13-17/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide?
3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 368.87 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 122274401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).