2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide

C19H18ClN5O2 — CID 146508127

IUPAC2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
SMILESCC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2cncc(Cl)c2)NC1
InChIInChI=1S/C19H18ClN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-14(26)4-3-11(6-21)15(16)12-5-13(20)8-22-7-12/h3-5,7-8,26H,9-10H2,1-2H3,(H2,23,24,25,27)
InChIKeyHLDCDDXULNTAIS-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.69
Rot. Bonds2

About 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide

2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide (PubChem CID 146508127) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
PubChem CID146508127
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
SMILESCC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2cncc(Cl)c2)NC1
InChIInChI=1S/C19H18ClN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-14(26)4-3-11(6-21)15(16)12-5-13(20)8-22-7-12/h3-5,7-8,26H,9-10H2,1-2H3,(H2,23,24,25,27)
InChIKeyHLDCDDXULNTAIS-UHFFFAOYSA-N
XLogP2.69
TPSA110.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide with MolForge

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Related Compounds

2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507997
2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507961
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
CID 146507996
5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
CID 166768397
3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 146508212
3-cyano-N-(diaminomethylidene)-2-(3,5-dichlorophenyl)-6-hydroxybenzamide
CID 146508042
N-(5,5-difluoro-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxy-3-isocyano-2-(3-methoxy-4-pyridinyl)benzamide
CID 160836212
N-(5-chloro-2-cyanophenyl)-3-hydroxypyridine-4-carboxamide
CID 81446338
3-hydroxy-2-(5-methylsulfonyl-3-pyridinyl)benzonitrile
CID 141364817
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
CID 159869900
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide (CID 146508127) is 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide is CC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2-c2cncc(Cl)c2)NC1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide?
The InChIKey is HLDCDDXULNTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-19(2)9-23-18(24-10-19)25-17(27)16-14(26)4-3-11(6-21)15(16)12-5-13(20)8-22-7-12/h3-5,7-8,26H,9-10H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide?
2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide has a molecular weight of 383.84 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide is sourced from PubChem (CID 146508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).