N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

C24H27FN4O3 — CID 73336034

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1
InChIInChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1
InChIKeyJNQOAFHFWORJSO-LJQANCHMSA-N
MW438.50 g/mol
LogP4.25
Rot. Bonds7

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 73336034) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
PubChem CID73336034
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1
InChIInChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1
InChIKeyJNQOAFHFWORJSO-LJQANCHMSA-N
XLogP4.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (CID 73336034) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The InChIKey is JNQOAFHFWORJSO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 73336034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).