N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C16H17N5OS — CID 94571785

IUPACN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c(C)s1
InChIInChI=1S/C16H17N5OS/c1-10-6-14(12(3)23-10)11(2)20-16(22)13-4-5-18-15(7-13)21-9-17-8-19-21/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyWVWCBSKXRXXJRP-NSHDSACASA-N
MW327.41 g/mol
LogP2.83
Rot. Bonds4

About N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 94571785) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID94571785
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1cc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c(C)s1
InChIInChI=1S/C16H17N5OS/c1-10-6-14(12(3)23-10)11(2)20-16(22)13-4-5-18-15(7-13)21-9-17-8-19-21/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyWVWCBSKXRXXJRP-NSHDSACASA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571784
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 47061107
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 94571785) is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is Cc1cc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is WVWCBSKXRXXJRP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10-6-14(12(3)23-10)11(2)20-16(22)13-4-5-18-15(7-13)21-9-17-8-19-21/h4-9,11H,1-3H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 94571785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).