4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane

C13H14Cl2N4O — CID 144702320

IUPAC4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2c(Cl)ncnc2Cl)cn1
InChIInChI=1S/C11H8Cl2N4O.C2H6/c1-6-2-3-7(4-14-6)17-11(18)8-9(12)15-5-16-10(8)13;1-2/h2-5H,1H3,(H,17,18);1-2H3
InChIKeyDSEKYTWPNXJMJJ-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.77
Rot. Bonds2

About 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane

4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane (PubChem CID 144702320) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane.

Molecular Properties

Compound Name4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
PubChem CID144702320
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2c(Cl)ncnc2Cl)cn1
InChIInChI=1S/C11H8Cl2N4O.C2H6/c1-6-2-3-7(4-14-6)17-11(18)8-9(12)15-5-16-10(8)13;1-2/h2-5H,1H3,(H,17,18);1-2H3
InChIKeyDSEKYTWPNXJMJJ-UHFFFAOYSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 114046022
2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
1-[(6-methyl-3-pyridinyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 175108677

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane?
The IUPAC name of 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane (CID 144702320) is 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane.
What is the SMILES notation for 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane?
The canonical SMILES for 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane is CC.Cc1ccc(NC(=O)c2c(Cl)ncnc2Cl)cn1.
What is the InChIKey of 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane?
The InChIKey is DSEKYTWPNXJMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O.C2H6/c1-6-2-3-7(4-14-6)17-11(18)8-9(12)15-5-16-10(8)13;1-2/h2-5H,1H3,(H,17,18);1-2H3.
What are the key properties of 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane?
4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane has a molecular weight of 313.19 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(6-methyl-3-pyridinyl)pyrimidine-5-carboxamide;ethane is sourced from PubChem (CID 144702320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).