5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide

C21H21BrFN5O — CID 45376447

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1NC1CCNCC1
InChIInChI=1S/C21H21BrFN5O/c22-20-16-2-1-9-25-17(16)18(27-15-7-10-24-11-8-15)19(28-20)21(29)26-12-13-3-5-14(23)6-4-13/h1-6,9,15,24,27H,7-8,10-12H2,(H,26,29)
InChIKeyIGJYNUHXOFRDGF-UHFFFAOYSA-N
MW458.34 g/mol
LogP3.63
Rot. Bonds5

About 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide

5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide (PubChem CID 45376447) has the molecular formula C21H21BrFN5O and a molecular weight of 458.34 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide
PubChem CID45376447
Molecular FormulaC21H21BrFN5O
Molecular Weight458.34 g/mol
Exact Mass457.09
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1NC1CCNCC1
InChIInChI=1S/C21H21BrFN5O/c22-20-16-2-1-9-25-17(16)18(27-15-7-10-24-11-8-15)19(28-20)21(29)26-12-13-3-5-14(23)6-4-13/h1-6,9,15,24,27H,7-8,10-12H2,(H,26,29)
InChIKeyIGJYNUHXOFRDGF-UHFFFAOYSA-N
XLogP3.63
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 24894053
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CID 68187480
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CID 68187593
CID 68187593
CID 68187641
CID 68187641
CID 69090444
CID 69090444
CID 23644840
CID 23644840
CID 127041542
CID 127041542
CID 127042183
CID 127042183
CID 11610189
CID 11610189
CID 45376308
CID 45376308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide (CID 45376447) is 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1NC1CCNCC1.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide?
The InChIKey is IGJYNUHXOFRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrFN5O/c22-20-16-2-1-9-25-17(16)18(27-15-7-10-24-11-8-15)19(28-20)21(29)26-12-13-3-5-14(23)6-4-13/h1-6,9,15,24,27H,7-8,10-12H2,(H,26,29).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide?
5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide has a molecular weight of 458.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 45376447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).