N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C18H21N5O2S — CID 108800962

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2nnc(C3CCCCC3)s2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C18H21N5O2S/c1-18(11-14(24)19-13-9-5-6-10-23(13)18)16(25)20-17-22-21-15(26-17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,22,25)
InChIKeyKDRXNGDYZKEZPE-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.00
Rot. Bonds3

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108800962) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108800962
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)Nc2nnc(C3CCCCC3)s2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C18H21N5O2S/c1-18(11-14(24)19-13-9-5-6-10-23(13)18)16(25)20-17-22-21-15(26-17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,22,25)
InChIKeyKDRXNGDYZKEZPE-UHFFFAOYSA-N
XLogP3.00
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
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N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
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N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108800962) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)Nc2nnc(C3CCCCC3)s2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is KDRXNGDYZKEZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-18(11-14(24)19-13-9-5-6-10-23(13)18)16(25)20-17-22-21-15(26-17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,22,25).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108800962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).