(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide

C26H24F2N4O4 — CID 177350625

IUPAC(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C[C@@H](C(=O)N[C@H](C)c2ncc(F)cc2F)c2c(OC)c3ncccc3[nH]c2=O)cc1
InChIInChI=1S/C26H24F2N4O4/c1-14(22-19(28)12-16(27)13-30-22)31-25(33)18(11-15-6-8-17(35-2)9-7-15)21-24(36-3)23-20(32-26(21)34)5-4-10-29-23/h4-10,12-14,18H,11H2,1-3H3,(H,31,33)(H,32,34)/t14-,18-/m1/s1
InChIKeyBAHIBYGHZXHCSN-RDTXWAMCSA-N
MW494.50 g/mol
LogP3.82
Rot. Bonds8

About (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide

(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 177350625) has the molecular formula C26H24F2N4O4 and a molecular weight of 494.50 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID177350625
Molecular FormulaC26H24F2N4O4
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC Name(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C[C@@H](C(=O)N[C@H](C)c2ncc(F)cc2F)c2c(OC)c3ncccc3[nH]c2=O)cc1
InChIInChI=1S/C26H24F2N4O4/c1-14(22-19(28)12-16(27)13-30-22)31-25(33)18(11-15-6-8-17(35-2)9-7-15)21-24(36-3)23-20(32-26(21)34)5-4-10-29-23/h4-10,12-14,18H,11H2,1-3H3,(H,31,33)(H,32,34)/t14-,18-/m1/s1
InChIKeyBAHIBYGHZXHCSN-RDTXWAMCSA-N
XLogP3.82
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide (CID 177350625) is (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(C[C@@H](C(=O)N[C@H](C)c2ncc(F)cc2F)c2c(OC)c3ncccc3[nH]c2=O)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is BAHIBYGHZXHCSN-RDTXWAMCSA-N. The full InChI is InChI=1S/C26H24F2N4O4/c1-14(22-19(28)12-16(27)13-30-22)31-25(33)18(11-15-6-8-17(35-2)9-7-15)21-24(36-3)23-20(32-26(21)34)5-4-10-29-23/h4-10,12-14,18H,11H2,1-3H3,(H,31,33)(H,32,34)/t14-,18-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide?
(2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 494.50 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(4-methoxy-2-oxo-1H-1,5-naphthyridin-3-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 177350625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).