N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide

C20H22N4O — CID 125139659

IUPACN-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@H](NC(=O)CCc2cnn(C)c2)c2ccccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15-6-9-17(10-7-15)20(18-5-3-4-12-21-18)23-19(25)11-8-16-13-22-24(2)14-16/h3-7,9-10,12-14,20H,8,11H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyAJMMMQMNFSEPCY-FQEVSTJZSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds6

About N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 125139659) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID125139659
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@H](NC(=O)CCc2cnn(C)c2)c2ccccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15-6-9-17(10-7-15)20(18-5-3-4-12-21-18)23-19(25)11-8-16-13-22-24(2)14-16/h3-7,9-10,12-14,20H,8,11H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyAJMMMQMNFSEPCY-FQEVSTJZSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-chlorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87026855
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110
3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 94580103
4-[3-(1-methylpyrazol-4-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201149
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
4-[[(4-methylphenyl)-pyridin-2-ylmethyl]carbamoylamino]butanoic acid
CID 122012499
1-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-3-[(4-methylphenyl)-pyridin-2-ylmethyl]urea
CID 166219888
N-[(1-methylpyrazol-4-yl)-pyridin-2-ylmethyl]prop-2-enamide
CID 166428675
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 125139659) is N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide is Cc1ccc([C@H](NC(=O)CCc2cnn(C)c2)c2ccccn2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is AJMMMQMNFSEPCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-9-17(10-7-15)20(18-5-3-4-12-21-18)23-19(25)11-8-16-13-22-24(2)14-16/h3-7,9-10,12-14,20H,8,11H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 125139659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).