2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide

C16H22N4OS — CID 51092385

IUPAC2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccn1
InChIInChI=1S/C16H22N4OS/c1-5-22-15-8-14(6-7-17-15)16(21)20(12(2)3)11-13-9-18-19(4)10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyTXWYYYYEXWYCRN-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.98
Rot. Bonds6

About 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide

2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 51092385) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID51092385
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
SMILESCCSc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccn1
InChIInChI=1S/C16H22N4OS/c1-5-22-15-8-14(6-7-17-15)16(21)20(12(2)3)11-13-9-18-19(4)10-13/h6-10,12H,5,11H2,1-4H3
InChIKeyTXWYYYYEXWYCRN-UHFFFAOYSA-N
XLogP2.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6862341
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 6884677
(2-Propylsulfanyl-3-pyridinyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60165658
2-{[(3R,6R)-6-methyl-1-{[2-(1-methyl-1H-pyrazol-4-yl)phenyl]carbonyl}piperidin-3-yl]sulfanyl}pyridine-4-carbonitrile
CID 118167430
2-{[(3R,6R)-6-methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]sulfanyl}pyridine
CID 118183265
[3,5-Dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazol-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 2745230
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 35520715
2-ethylsulfanyl-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 51091427
4-[2-(Thiophen-2-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl]pyridine
CID 53165166
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-ethylsulfanylpyridine-3-carboxamide
CID 53619650
[4-[(1-Tert-butylpyrazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56814903
N-(2,2-difluoroethyl)-2-ethylsulfanyl-N-propan-2-ylpyridine-4-carboxamide
CID 71846981

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide (CID 51092385) is 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide is CCSc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is TXWYYYYEXWYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-5-22-15-8-14(6-7-17-15)16(21)20(12(2)3)11-13-9-18-19(4)10-13/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide?
2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 51092385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).