4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide

C25H23FN6O — CID 138590307

IUPAC4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
SMILESO=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O/c26-19-4-1-16(2-5-19)25(33)32-24-12-23-17(14-29-24)3-6-22(31-23)18-11-21(15-28-13-18)30-20-7-9-27-10-8-20/h1-6,11-15,20,27,30H,7-10H2,(H,29,32,33)
InChIKeyBXHPACJSVMSQFS-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.25
Rot. Bonds5

About 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide

4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide (PubChem CID 138590307) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
PubChem CID138590307
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
SMILESO=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1
InChIInChI=1S/C25H23FN6O/c26-19-4-1-16(2-5-19)25(33)32-24-12-23-17(14-29-24)3-6-22(31-23)18-11-21(15-28-13-18)30-20-7-9-27-10-8-20/h1-6,11-15,20,27,30H,7-10H2,(H,29,32,33)
InChIKeyBXHPACJSVMSQFS-UHFFFAOYSA-N
XLogP4.25
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide
CID 138589444
N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
CID 138588021
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
4-fluoro-N-[6-[6-[[(3S)-3-fluoropiperidin-4-yl]amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 142575557
4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265
N-[3-(5-amino-3-pyridinyl)-1,7-naphthyridin-6-yl]-4-fluorobenzamide
CID 138589953
N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide
CID 138587570
[1-[6-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]pyrazin-2-yl]azetidin-3-yl]carbamic acid
CID 138586296
N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138590049
N-[4-[6-[(4-fluorobenzoyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cycloheptanecarboxamide
CID 71131023
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
CID 138586342

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide (CID 138590307) is 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide is O=C(Nc1cc2nc(-c3cncc(NC4CCNCC4)c3)ccc2cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide?
The InChIKey is BXHPACJSVMSQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c26-19-4-1-16(2-5-19)25(33)32-24-12-23-17(14-29-24)3-6-22(31-23)18-11-21(15-28-13-18)30-20-7-9-27-10-8-20/h1-6,11-15,20,27,30H,7-10H2,(H,29,32,33).
What are the key properties of 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide?
4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide has a molecular weight of 442.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide is sourced from PubChem (CID 138590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).