5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide

C18H20FN5O2 — CID 167801853

IUPAC5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cncc(C(=O)NC2CCCC(NC(=O)c3cncc(F)c3)C2)c1
InChIInChI=1S/C18H20FN5O2/c19-13-4-11(7-21-9-13)17(25)23-15-2-1-3-16(6-15)24-18(26)12-5-14(20)10-22-8-12/h4-5,7-10,15-16H,1-3,6,20H2,(H,23,25)(H,24,26)
InChIKeyQQCVAWACMKBCER-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.67
Rot. Bonds4

About 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide

5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 167801853) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
PubChem CID167801853
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESNc1cncc(C(=O)NC2CCCC(NC(=O)c3cncc(F)c3)C2)c1
InChIInChI=1S/C18H20FN5O2/c19-13-4-11(7-21-9-13)17(25)23-15-2-1-3-16(6-15)24-18(26)12-5-14(20)10-22-8-12/h4-5,7-10,15-16H,1-3,6,20H2,(H,23,25)(H,24,26)
InChIKeyQQCVAWACMKBCER-UHFFFAOYSA-N
XLogP1.67
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-amino-3-pyridinyl)-N-cyclobutylbenzamide
CID 118795848
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 129381908
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 122246592
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 164642091
N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (CID 167801853) is 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is Nc1cncc(C(=O)NC2CCCC(NC(=O)c3cncc(F)c3)C2)c1.
What is the InChIKey of 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is QQCVAWACMKBCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-13-4-11(7-21-9-13)17(25)23-15-2-1-3-16(6-15)24-18(26)12-5-14(20)10-22-8-12/h4-5,7-10,15-16H,1-3,6,20H2,(H,23,25)(H,24,26).
What are the key properties of 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?
5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 167801853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).