N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one

C20H23FN6O2 — CID 143913640

IUPACN-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one
SMILESCn1nn[nH]c1=O.O=C(NC1CCCCC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C18H19FN2O.C2H4N4O/c19-15-6-4-5-13(11-15)17-10-9-14(12-20-17)18(22)21-16-7-2-1-3-8-16;1-6-2(7)3-4-5-6/h4-6,9-12,16H,1-3,7-8H2,(H,21,22);1H3,(H,3,5,7)
InChIKeyOXKYZQJZFNHIRZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.45
Rot. Bonds3

About N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one

N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one (PubChem CID 143913640) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one
PubChem CID143913640
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC NameN-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one
SMILESCn1nn[nH]c1=O.O=C(NC1CCCCC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C18H19FN2O.C2H4N4O/c19-15-6-4-5-13(11-15)17-10-9-14(12-20-17)18(22)21-16-7-2-1-3-8-16;1-6-2(7)3-4-5-6/h4-6,9-12,16H,1-3,7-8H2,(H,21,22);1H3,(H,3,5,7)
InChIKeyOXKYZQJZFNHIRZ-UHFFFAOYSA-N
XLogP2.45
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 53111052
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 68509981
6-(3-fluorophenyl)-N-[(1R,3S)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 59401449
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
cis-(1S,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 91076750
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperazine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 70942254
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one?
The IUPAC name of N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one (CID 143913640) is N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one.
What is the SMILES notation for N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one?
The canonical SMILES for N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one is Cn1nn[nH]c1=O.O=C(NC1CCCCC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one?
The InChIKey is OXKYZQJZFNHIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O.C2H4N4O/c19-15-6-4-5-13(11-15)17-10-9-14(12-20-17)18(22)21-16-7-2-1-3-8-16;1-6-2(7)3-4-5-6/h4-6,9-12,16H,1-3,7-8H2,(H,21,22);1H3,(H,3,5,7).
What are the key properties of N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one?
N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one has a molecular weight of 398.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one is sourced from PubChem (CID 143913640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).