2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide

C16H13Cl2FN4O2 — CID 135378706

IUPAC2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C16H13Cl2FN4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25)
InChIKeyOGTGIAJAKFOKAK-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.07
Rot. Bonds3

About 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide

2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide (PubChem CID 135378706) has the molecular formula C16H13Cl2FN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
PubChem CID135378706
Molecular FormulaC16H13Cl2FN4O2
Molecular Weight383.21 g/mol
Exact Mass382.04
IUPAC Name2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
SMILESCc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C16H13Cl2FN4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25)
InChIKeyOGTGIAJAKFOKAK-UHFFFAOYSA-N
XLogP4.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide (CID 135378706) is 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide is Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is OGTGIAJAKFOKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25).
What are the key properties of 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide?
2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 135378706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).