N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide

C21H21FN4O2 — CID 164882572

IUPACN-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide
SMILESNc1cc(-c2ccc(NC(=O)C3CCCCC3)cc2F)nc2cc[nH]c(=O)c12
InChIInChI=1S/C21H21FN4O2/c22-15-10-13(25-20(27)12-4-2-1-3-5-12)6-7-14(15)18-11-16(23)19-17(26-18)8-9-24-21(19)28/h6-12H,1-5H2,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyFPZRZQQGQDLZFJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.83
Rot. Bonds3

About N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide

N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide (PubChem CID 164882572) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide
PubChem CID164882572
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide
SMILESNc1cc(-c2ccc(NC(=O)C3CCCCC3)cc2F)nc2cc[nH]c(=O)c12
InChIInChI=1S/C21H21FN4O2/c22-15-10-13(25-20(27)12-4-2-1-3-5-12)6-7-14(15)18-11-16(23)19-17(26-18)8-9-24-21(19)28/h6-12H,1-5H2,(H2,23,26)(H,24,28)(H,25,27)
InChIKeyFPZRZQQGQDLZFJ-UHFFFAOYSA-N
XLogP3.83
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[4-[[5-[(3S)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 167232846
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 164882628
N-[3-fluoro-4-[4-[[5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882580
N-[4-[4-[[5-[(3aR)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 175872387
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-(4-amino-3-hydroxyphenyl)cyclohexanecarboxamide
CID 143616752
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide (CID 164882572) is N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide is Nc1cc(-c2ccc(NC(=O)C3CCCCC3)cc2F)nc2cc[nH]c(=O)c12.
What is the InChIKey of N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is FPZRZQQGQDLZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-15-10-13(25-20(27)12-4-2-1-3-5-12)6-7-14(15)18-11-16(23)19-17(26-18)8-9-24-21(19)28/h6-12H,1-5H2,(H2,23,26)(H,24,28)(H,25,27).
What are the key properties of N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide?
N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-5-oxo-6H-1,6-naphthyridin-2-yl)-3-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 164882572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).