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

C16H13Cl3N4O2 — CID 135378713

IUPAC2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C16H13Cl3N4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(17)14(19)22-13(9)18/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25)
InChIKeyRCOVJXBIQQULID-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.58
Rot. Bonds3

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

2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (PubChem CID 135378713) has the molecular formula C16H13Cl3N4O2 and a molecular weight of 399.67 g/mol. Its IUPAC name is 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
PubChem CID135378713
Molecular FormulaC16H13Cl3N4O2
Molecular Weight399.67 g/mol
Exact Mass398.01
IUPAC Name2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
SMILESCc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C16H13Cl3N4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(17)14(19)22-13(9)18/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25)
InChIKeyRCOVJXBIQQULID-UHFFFAOYSA-N
XLogP4.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.58
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

Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-methylpiperidin-1-yl)methanone
CID 23725442
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725537
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-propylpiperidin-1-yl)methanone
CID 23725540
(R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725809
(S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725810
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-propylpiperidin-1-yl)methanone
CID 23725812
Rac-(2-butylpiperidin-1-yl)(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)methanone
CID 23725862
2-chloro-N-(2-chloropyridin-3-yl)pyridine-3-carboxamide
CID 2747538
5-chloro-N-[4-[(3-ethyl-2-oxoimidazo[4,5-c]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53340970
7-chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido(2,3-d)pyrimidine-2,4(1H,3H)-dione
CID 135379087
5-(5-benzamido-6-chloro-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 162660208
2-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide
CID 10423868

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The IUPAC name of 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide (CID 135378713) is 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The canonical SMILES for 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is Cc1ccnc(C2CC2)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
The InChIKey is RCOVJXBIQQULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N4O2/c1-7-4-5-20-12(8-2-3-8)11(7)21-16(25)23-15(24)9-6-10(17)14(19)22-13(9)18/h4-6,8H,2-3H2,1H3,(H2,21,23,24,25).
What are the key properties of 2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide?
2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide has a molecular weight of 399.67 g/mol, XLogP of 4.58, 3 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-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide is sourced from PubChem (CID 135378713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).