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

C20H15Cl2FN4O2 — CID 163370920

IUPACN-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCc1ccnc(Cc2ccccc2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C20H15Cl2FN4O2/c1-11-7-8-24-15(9-12-5-3-2-4-6-12)16(11)25-20(29)27-19(28)13-10-14(23)18(22)26-17(13)21/h2-8,10H,9H2,1H3,(H2,25,27,28,29)
InChIKeyOGLALTSTPPJPRR-UHFFFAOYSA-N
MW433.27 g/mol
LogP4.78
Rot. Bonds4

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

N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (PubChem CID 163370920) has the molecular formula C20H15Cl2FN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
PubChem CID163370920
Molecular FormulaC20H15Cl2FN4O2
Molecular Weight433.27 g/mol
Exact Mass432.06
IUPAC NameN-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
SMILESCc1ccnc(Cc2ccccc2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C20H15Cl2FN4O2/c1-11-7-8-24-15(9-12-5-3-2-4-6-12)16(11)25-20(29)27-19(28)13-10-14(23)18(22)26-17(13)21/h2-8,10H,9H2,1H3,(H2,25,27,28,29)
InChIKeyOGLALTSTPPJPRR-UHFFFAOYSA-N
XLogP4.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.78
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-[(4-methyl-2-phosphanyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 154989331
2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
2,6-dichloro-5-fluoro-N-[(2-propan-2-yl-4-propyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 159916760
N-[(5-benzyl-6-chloropyrazin-2-yl)carbamoyl]-2-methylbenzamide
CID 20567062
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-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 163428284
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
N-(2-chloro-4-methyl-3-pyridinyl)-5-fluoro-2-hydroxy-4-(5-methyl-2-pyridinyl)benzamide;1,1,1-trifluoropropane
CID 156722546

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide (CID 163370920) is N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is Cc1ccnc(Cc2ccccc2)c1NC(=O)NC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
The InChIKey is OGLALTSTPPJPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN4O2/c1-11-7-8-24-15(9-12-5-3-2-4-6-12)16(11)25-20(29)27-19(28)13-10-14(23)18(22)26-17(13)21/h2-8,10H,9H2,1H3,(H2,25,27,28,29).
What are the key properties of N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide?
N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide has a molecular weight of 433.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 163370920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).