2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

C16H15Cl2FN4O2 — CID 135379062

IUPAC2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C16H15Cl2FN4O2/c1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-7H,1-3H3,(H2,21,23,24,25)
InChIKeyOOQALLDXGQBTTG-UHFFFAOYSA-N
MW385.23 g/mol
LogP4.32
Rot. Bonds3

About 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 135379062) has the molecular formula C16H15Cl2FN4O2 and a molecular weight of 385.23 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
PubChem CID135379062
Molecular FormulaC16H15Cl2FN4O2
Molecular Weight385.23 g/mol
Exact Mass384.06
IUPAC Name2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C16H15Cl2FN4O2/c1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-7H,1-3H3,(H2,21,23,24,25)
InChIKeyOOQALLDXGQBTTG-UHFFFAOYSA-N
XLogP4.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 54.32
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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Related Compounds

2,6-dichloro-N-[(2,4-dimethyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
CID 146612498
2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 159916760
2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 154989331
N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 163370920
N-[[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-propan-2-yl-3-pyridinyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 156678411
2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 163428284
2,5,6-trichloro-N-[[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]pyridine-3-carboxamide
CID 168764668
2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135378713
3-[6-chloro-5-fluoro-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-2-nitro-3-oxopropanoic acid
CID 172702368
2,6-dichloro-5-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]-2H-pyridine-3-carboxylic acid
CID 175748623
methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 167616925
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 95571150

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (CID 135379062) is 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is Cc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is OOQALLDXGQBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4O2/c1-7(2)11-12(8(3)4-5-20-11)21-16(25)23-15(24)9-6-10(19)14(18)22-13(9)17/h4-7H,1-3H3,(H2,21,23,24,25).
What are the key properties of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 385.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 135379062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).