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

C13H10Cl2FN4O2P — CID 154989331

IUPAC2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(P)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2FN4O2P/c1-5-2-3-17-12(23)8(5)18-13(22)20-11(21)6-4-7(16)10(15)19-9(6)14/h2-4H,23H2,1H3,(H2,18,20,21,22)
InChIKeyIPRGWHUSNCNVCZ-UHFFFAOYSA-N
MW375.13 g/mol
LogP2.69
Rot. Bonds2

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

2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 154989331) has the molecular formula C13H10Cl2FN4O2P and a molecular weight of 375.13 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
PubChem CID154989331
Molecular FormulaC13H10Cl2FN4O2P
Molecular Weight375.13 g/mol
Exact Mass373.99
IUPAC Name2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(P)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2FN4O2P/c1-5-2-3-17-12(23)8(5)18-13(22)20-11(21)6-4-7(16)10(15)19-9(6)14/h2-4H,23H2,1H3,(H2,18,20,21,22)
InChIKeyIPRGWHUSNCNVCZ-UHFFFAOYSA-N
XLogP2.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 163370920
2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 159916760
2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135378713
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-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
2,5,6-trichloro-N-[[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]pyridine-3-carboxamide
CID 168764668
3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzamide
CID 114020013
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (CID 154989331) is 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is Cc1ccnc(P)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is IPRGWHUSNCNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN4O2P/c1-5-2-3-17-12(23)8(5)18-13(22)20-11(21)6-4-7(16)10(15)19-9(6)14/h2-4H,23H2,1H3,(H2,18,20,21,22).
What are the key properties of 2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
2,6-dichloro-5-fluoro-N-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 375.13 g/mol, XLogP of 2.69, 2 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-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 154989331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).