N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C23H28N4O — CID 96573738

IUPACN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCc2c(C)nn(C)c2C)c2cccnc2)c1
InChIInChI=1S/C23H28N4O/c1-15-8-9-16(2)21(13-15)23(19-7-6-12-24-14-19)25-22(28)11-10-20-17(3)26-27(5)18(20)4/h6-9,12-14,23H,10-11H2,1-5H3,(H,25,28)/t23-/m1/s1
InChIKeyXQEJVNAHPXYPIG-HSZRJFAPSA-N
MW376.50 g/mol
LogP3.89
Rot. Bonds6

About N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 96573738) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID96573738
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(C)c([C@H](NC(=O)CCc2c(C)nn(C)c2C)c2cccnc2)c1
InChIInChI=1S/C23H28N4O/c1-15-8-9-16(2)21(13-15)23(19-7-6-12-24-14-19)25-22(28)11-10-20-17(3)26-27(5)18(20)4/h6-9,12-14,23H,10-11H2,1-5H3,(H,25,28)/t23-/m1/s1
InChIKeyXQEJVNAHPXYPIG-HSZRJFAPSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 125159123
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124731636
N-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 72840386
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
4-chloro-N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]benzamide
CID 95740893
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97146146
N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
CID 51584924
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 96573738) is N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ccc(C)c([C@H](NC(=O)CCc2c(C)nn(C)c2C)c2cccnc2)c1.
What is the InChIKey of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XQEJVNAHPXYPIG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-8-9-16(2)21(13-15)23(19-7-6-12-24-14-19)25-22(28)11-10-20-17(3)26-27(5)18(20)4/h6-9,12-14,23H,10-11H2,1-5H3,(H,25,28)/t23-/m1/s1.
What are the key properties of N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 376.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 96573738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).