2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide

C11H8ClIN4O — CID 114219747

IUPAC2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cn2)nc(Cl)n1
InChIInChI=1S/C11H8ClIN4O/c1-6-4-8(16-11(12)15-6)10(18)17-9-3-2-7(13)5-14-9/h2-5H,1H3,(H,14,17,18)
InChIKeyQQESEFUYUQFGOT-UHFFFAOYSA-N
MW374.57 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219747) has the molecular formula C11H8ClIN4O and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219747
Molecular FormulaC11H8ClIN4O
Molecular Weight374.57 g/mol
Exact Mass373.94
IUPAC Name2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(I)cn2)nc(Cl)n1
InChIInChI=1S/C11H8ClIN4O/c1-6-4-8(16-11(12)15-6)10(18)17-9-3-2-7(13)5-14-9/h2-5H,1H3,(H,14,17,18)
InChIKeyQQESEFUYUQFGOT-UHFFFAOYSA-N
XLogP2.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
2-chloro-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114251501
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
CID 59479371
N-(5-iodo-2-pyridinyl)-5-methylfuran-2-carboxamide
CID 65098645
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
N-(5-iodo-2-pyridinyl)naphthalene-2-carboxamide
CID 60674580
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide (CID 114219747) is 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(I)cn2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is QQESEFUYUQFGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN4O/c1-6-4-8(16-11(12)15-6)10(18)17-9-3-2-7(13)5-14-9/h2-5H,1H3,(H,14,17,18).
What are the key properties of 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 374.57 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).