2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide

C10H10Cl2N2O — CID 114918894

IUPAC2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C10H10Cl2N2O/c1-10(2-3-10)14-9(15)6-4-8(12)13-5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyZCHSHXQOQISBBL-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.67
Rot. Bonds2

About 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide

2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide (PubChem CID 114918894) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
PubChem CID114918894
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(NC(=O)c2cc(Cl)ncc2Cl)CC1
InChIInChI=1S/C10H10Cl2N2O/c1-10(2-3-10)14-9(15)6-4-8(12)13-5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyZCHSHXQOQISBBL-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2-bromo-4-chloro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486107
4-chloro-2-fluoro-5-[(1-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 113486103
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide (CID 114918894) is 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide is CC1(NC(=O)c2cc(Cl)ncc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is ZCHSHXQOQISBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c1-10(2-3-10)14-9(15)6-4-8(12)13-5-7(6)11/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 245.11 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).