N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide

C19H19F2N3O3 — CID 99791597

IUPACN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C19H19F2N3O3/c1-12-14(9-13(10-22-12)24(26)27)18(25)23-11-19(7-2-3-8-19)17-15(20)5-4-6-16(17)21/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,23,25)
InChIKeyLBZJHVLXGOJWPA-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.82
Rot. Bonds5

About N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide

N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide (PubChem CID 99791597) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
PubChem CID99791597
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C19H19F2N3O3/c1-12-14(9-13(10-22-12)24(26)27)18(25)23-11-19(7-2-3-8-19)17-15(20)5-4-6-16(17)21/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,23,25)
InChIKeyLBZJHVLXGOJWPA-UHFFFAOYSA-N
XLogP3.82
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide (CID 99791597) is N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1(c2c(F)cccc2F)CCCC1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is LBZJHVLXGOJWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-12-14(9-13(10-22-12)24(26)27)18(25)23-11-19(7-2-3-8-19)17-15(20)5-4-6-16(17)21/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,23,25).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide?
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 99791597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).