2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

C17H17Cl3N4O2 — CID 163428284

IUPAC2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C17H17Cl3N4O2/c1-4-9-5-6-21-12(8(2)3)13(9)22-17(26)24-16(25)10-7-11(18)15(20)23-14(10)19/h5-8H,4H2,1-3H3,(H2,22,24,25,26)
InChIKeyAOJCRTXCQNGFGA-UHFFFAOYSA-N
MW415.71 g/mol
LogP5.08
Rot. Bonds4

About 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide

2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 163428284) has the molecular formula C17H17Cl3N4O2 and a molecular weight of 415.71 g/mol. Its IUPAC name is 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
PubChem CID163428284
Molecular FormulaC17H17Cl3N4O2
Molecular Weight415.71 g/mol
Exact Mass414.04
IUPAC Name2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C17H17Cl3N4O2/c1-4-9-5-6-21-12(8(2)3)13(9)22-17(26)24-16(25)10-7-11(18)15(20)23-14(10)19/h5-8H,4H2,1-3H3,(H2,22,24,25,26)
InChIKeyAOJCRTXCQNGFGA-UHFFFAOYSA-N
XLogP5.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 55.08
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

2,5,6-trichloro-N-[[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]carbamoyl]pyridine-3-carboxamide
CID 168764668
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-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
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
2,6-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
N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 163370920
N-carbamoyl-2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
CID 165098841
methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 167616925
N-(2,6-diethylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62186111
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]-4-propan-2-ylpyrimidine-5-carboxylate
CID 171989260

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (CID 163428284) is 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is CCc1ccnc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is AOJCRTXCQNGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N4O2/c1-4-9-5-6-21-12(8(2)3)13(9)22-17(26)24-16(25)10-7-11(18)15(20)23-14(10)19/h5-8H,4H2,1-3H3,(H2,22,24,25,26).
What are the key properties of 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 415.71 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 163428284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).