1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C22H23N3O2S — CID 172659790

IUPAC1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)c2c(C)ccn(C3CC3)c2=O)s1
InChIInChI=1S/C22H23N3O2S/c1-15-9-12-25(18-4-5-18)22(27)20(15)21(26)24(13-17-7-10-23-11-8-17)14-19-6-3-16(2)28-19/h3,6-12,18H,4-5,13-14H2,1-2H3
InChIKeyBDIXXEYDTOJIGS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.10
Rot. Bonds6

About 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 172659790) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID172659790
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(CN(Cc2ccncc2)C(=O)c2c(C)ccn(C3CC3)c2=O)s1
InChIInChI=1S/C22H23N3O2S/c1-15-9-12-25(18-4-5-18)22(27)20(15)21(26)24(13-17-7-10-23-11-8-17)14-19-6-3-16(2)28-19/h3,6-12,18H,4-5,13-14H2,1-2H3
InChIKeyBDIXXEYDTOJIGS-UHFFFAOYSA-N
XLogP4.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 172659790) is 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1ccc(CN(Cc2ccncc2)C(=O)c2c(C)ccn(C3CC3)c2=O)s1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BDIXXEYDTOJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-9-12-25(18-4-5-18)22(27)20(15)21(26)24(13-17-7-10-23-11-8-17)14-19-6-3-16(2)28-19/h3,6-12,18H,4-5,13-14H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172659790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).