N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide

C26H24FN3O — CID 11269935

IUPACN-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1
InChIInChI=1S/C26H24FN3O/c1-18(2)29-25-16-24(13-14-28-25)30(17-19-7-11-23(27)12-8-19)26(31)22-10-9-20-5-3-4-6-21(20)15-22/h3-16,18H,17H2,1-2H3,(H,28,29)
InChIKeyNZZQNRHEAKLOJO-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.04
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide (PubChem CID 11269935) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide
PubChem CID11269935
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1
InChIInChI=1S/C26H24FN3O/c1-18(2)29-25-16-24(13-14-28-25)30(17-19-7-11-23(27)12-8-19)26(31)22-10-9-20-5-3-4-6-21(20)15-22/h3-16,18H,17H2,1-2H3,(H,28,29)
InChIKeyNZZQNRHEAKLOJO-UHFFFAOYSA-N
XLogP6.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide (CID 11269935) is N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide is CC(C)Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is NZZQNRHEAKLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c1-18(2)29-25-16-24(13-14-28-25)30(17-19-7-11-23(27)12-8-19)26(31)22-10-9-20-5-3-4-6-21(20)15-22/h3-16,18H,17H2,1-2H3,(H,28,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-(propan-2-ylamino)-4-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11269935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).