N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C21H25FN4O2 — CID 59401474

IUPACN-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)NC1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C21H25FN4O2/c1-26(2)21(28)25-18-9-7-17(8-10-18)24-20(27)15-6-11-19(23-13-15)14-4-3-5-16(22)12-14/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVBZWDMTYHPGOEC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.20
Rot. Bonds4

About N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 59401474) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID59401474
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)NC1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C21H25FN4O2/c1-26(2)21(28)25-18-9-7-17(8-10-18)24-20(27)15-6-11-19(23-13-15)14-4-3-5-16(22)12-14/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyVBZWDMTYHPGOEC-UHFFFAOYSA-N
XLogP3.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085
6-(3-fluorophenyl)-N-[4-[methyl(piperidin-4-yl)carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401490
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
[(1R,3S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclopentyl] formate
CID 87257900
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-[(1R,3S)-3-(4-hydroxypiperidine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91031311
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
tert-butyl N-[(1S)-3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 143913711
N-cyclohexyl-6-(3-fluorophenyl)pyridine-3-carboxamide;4-methyl-1H-tetrazol-5-one
CID 143913640
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267282
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 59401474) is N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CN(C)C(=O)NC1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is VBZWDMTYHPGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-26(2)21(28)25-18-9-7-17(8-10-18)24-20(27)15-6-11-19(23-13-15)14-4-3-5-16(22)12-14/h3-6,11-13,17-18H,7-10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59401474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).