2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide

C14H14Cl2N4O — CID 116794886

IUPAC2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccnc(Cl)n2)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-14(2,3)9-6-8(7-10(15)18-9)12(21)19-11-4-5-17-13(16)20-11/h4-7H,1-3H3,(H,17,19,20,21)
InChIKeyXLKCPKKXFCNJKV-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.73
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide (PubChem CID 116794886) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
PubChem CID116794886
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2ccnc(Cl)n2)cc(Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-14(2,3)9-6-8(7-10(15)18-9)12(21)19-11-4-5-17-13(16)20-11/h4-7H,1-3H3,(H,17,19,20,21)
InChIKeyXLKCPKKXFCNJKV-UHFFFAOYSA-N
XLogP3.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Bisanilinopyrimidine, 6p
CID 70702144
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
1,6-naphthyridin-2(1H)-one deriv. 7o
CID 5328714
Pyrimidine-4-carboxamide, 65
CID 44520946
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 2819595
2-chloro-N-(6-methylpyridin-2-yl)pyridine-3-carboxamide
CID 4174965
Nvp-cee321
CID 129165016
3-({4-[(5-Chloro-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138022

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide (CID 116794886) is 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)Nc2ccnc(Cl)n2)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide?
The InChIKey is XLKCPKKXFCNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-14(2,3)9-6-8(7-10(15)18-9)12(21)19-11-4-5-17-13(16)20-11/h4-7H,1-3H3,(H,17,19,20,21).
What are the key properties of 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(2-chloropyrimidin-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 116794886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).