6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide

C20H22N6OS — CID 139361194

IUPAC6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)nc1C1CC1
InChIInChI=1S/C20H22N6OS/c1-12-4-7-16(23-18(12)14-5-6-14)19(27)24-17-10-15(8-9-21-17)13(2)28-20-25-22-11-26(20)3/h4,7-11,13-14H,5-6H2,1-3H3,(H,21,24,27)/t13-/m0/s1
InChIKeySDYUJFQWKSASKR-ZDUSSCGKSA-N
MW394.50 g/mol
LogP3.90
Rot. Bonds6

About 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide

6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 139361194) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide
PubChem CID139361194
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)nc1C1CC1
InChIInChI=1S/C20H22N6OS/c1-12-4-7-16(23-18(12)14-5-6-14)19(27)24-17-10-15(8-9-21-17)13(2)28-20-25-22-11-26(20)3/h4,7-11,13-14H,5-6H2,1-3H3,(H,21,24,27)/t13-/m0/s1
InChIKeySDYUJFQWKSASKR-ZDUSSCGKSA-N
XLogP3.90
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide (CID 139361194) is 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cc([C@H](C)Sc3nncn3C)ccn2)nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is SDYUJFQWKSASKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-12-4-7-16(23-18(12)14-5-6-14)19(27)24-17-10-15(8-9-21-17)13(2)28-20-25-22-11-26(20)3/h4,7-11,13-14H,5-6H2,1-3H3,(H,21,24,27)/t13-/m0/s1.
What are the key properties of 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide?
6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methyl-N-[4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 139361194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).