N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide

C16H23N5OS — CID 95980506

IUPACN-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cn1
InChIInChI=1S/C16H23N5OS/c1-5-23-15-7-6-12(8-17-15)16(22)18-10-14(20(2)3)13-9-19-21(4)11-13/h6-9,11,14H,5,10H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyYFCFJJPMTCDNLA-AWEZNQCLSA-N
MW333.46 g/mol
LogP1.96
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide (PubChem CID 95980506) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
PubChem CID95980506
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cn1
InChIInChI=1S/C16H23N5OS/c1-5-23-15-7-6-12(8-17-15)16(22)18-10-14(20(2)3)13-9-19-21(4)11-13/h6-9,11,14H,5,10H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyYFCFJJPMTCDNLA-AWEZNQCLSA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
6-ethylsulfanyl-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460539
5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluorobenzamide
CID 86968752
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-fluoro-4-pyrimidin-5-ylbenzamide
CID 126780920
6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480193
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111797332
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538964
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 139007347
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
CID 56792355
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
(2R,3R)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 99831027

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide (CID 95980506) is N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide is CCSc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)cn1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide?
The InChIKey is YFCFJJPMTCDNLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-5-23-15-7-6-12(8-17-15)16(22)18-10-14(20(2)3)13-9-19-21(4)11-13/h6-9,11,14H,5,10H2,1-4H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-6-ethylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 95980506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).