N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide

C20H26N4OS — CID 74234499

IUPACN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCSCCN(C(=O)c1cnc(-c2cccnc2)nc1)C1CCCCC1
InChIInChI=1S/C20H26N4OS/c1-2-26-12-11-24(18-8-4-3-5-9-18)20(25)17-14-22-19(23-15-17)16-7-6-10-21-13-16/h6-7,10,13-15,18H,2-5,8-9,11-12H2,1H3
InChIKeyUYWCVWPOSYIGDF-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.07
Rot. Bonds7

About N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide

N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 74234499) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID74234499
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCCSCCN(C(=O)c1cnc(-c2cccnc2)nc1)C1CCCCC1
InChIInChI=1S/C20H26N4OS/c1-2-26-12-11-24(18-8-4-3-5-9-18)20(25)17-14-22-19(23-15-17)16-7-6-10-21-13-16/h6-7,10,13-15,18H,2-5,8-9,11-12H2,1H3
InChIKeyUYWCVWPOSYIGDF-UHFFFAOYSA-N
XLogP4.07
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(2-chloroethyl)-N-cyclohexyl-6-methylpyridine-3-carboxamide
CID 63391189
N-[(E)-3-phenylprop-2-enyl]-N-propyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50961931
3-[2-[acetyl(cyclohexyl)amino]ethylsulfanylmethyl]-N,N-dimethyl-4-oxo-4-pyridin-3-ylbutanamide
CID 21340887
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
N-ethyl-N-[1-(4-methoxyphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 50956181
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 134081034
N-cyclohexyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74239316
N-[2-(dicyclohexylamino)-2-oxoethyl]-N-[2-(diethylamino)ethyl]pyridine-3-carboxamide
CID 3136485

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 74234499) is N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide is CCSCCN(C(=O)c1cnc(-c2cccnc2)nc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is UYWCVWPOSYIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-2-26-12-11-24(18-8-4-3-5-9-18)20(25)17-14-22-19(23-15-17)16-7-6-10-21-13-16/h6-7,10,13-15,18H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74234499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).