N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide

C17H15ClF3N3O3 — CID 22145814

IUPACN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C17H15ClF3N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25)
InChIKeyYLWMVVWOMTUQES-UHFFFAOYSA-N
MW401.77 g/mol
LogP4.13
Rot. Bonds5

About N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide

N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide (PubChem CID 22145814) has the molecular formula C17H15ClF3N3O3 and a molecular weight of 401.77 g/mol. Its IUPAC name is N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide
PubChem CID22145814
Molecular FormulaC17H15ClF3N3O3
Molecular Weight401.77 g/mol
Exact Mass401.08
IUPAC NameN-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1
InChIInChI=1S/C17H15ClF3N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25)
InChIKeyYLWMVVWOMTUQES-UHFFFAOYSA-N
XLogP4.13
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 88064124
CID 88064124
CID 22145685
CID 22145685
CID 22145691
CID 22145691
CID 22145756
CID 22145756
CID 22145765
CID 22145765
CID 22145768
CID 22145768
CID 22145774
CID 22145774
CID 22145782
CID 22145782
CID 22145803
CID 22145803
CID 22145853
CID 22145853
CID 22145854
CID 22145854
CID 22145898
CID 22145898

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide (CID 22145814) is N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2c(F)c(F)nc(F)c2Cl)cc1OC1CCCC1.
What is the InChIKey of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide?
The InChIKey is YLWMVVWOMTUQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O3/c1-26-11-7-22-9(6-10(11)27-8-4-2-3-5-8)17(25)23-14-12(18)15(20)24-16(21)13(14)19/h6-8H,2-5H2,1H3,(H,23,24,25).
What are the key properties of N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide?
N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide has a molecular weight of 401.77 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-cyclopentyloxy-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 22145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).