N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide

C23H20N4O2 — CID 92582474

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1
InChIInChI=1S/C23H20N4O2/c1-15(16-5-7-18(29-2)8-6-16)26-23(28)22-12-19(17-4-3-10-24-13-17)20-14-25-11-9-21(20)27-22/h3-15H,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyDNUAVWOVZVKIPJ-OAHLLOKOSA-N
MW384.44 g/mol
LogP4.19
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide (PubChem CID 92582474) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
PubChem CID92582474
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1
InChIInChI=1S/C23H20N4O2/c1-15(16-5-7-18(29-2)8-6-16)26-23(28)22-12-19(17-4-3-10-24-13-17)20-14-25-11-9-21(20)27-22/h3-15H,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyDNUAVWOVZVKIPJ-OAHLLOKOSA-N
XLogP4.19
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide (CID 92582474) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccnc3)c3cnccc3n2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide?
The InChIKey is DNUAVWOVZVKIPJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15(16-5-7-18(29-2)8-6-16)26-23(28)22-12-19(17-4-3-10-24-13-17)20-14-25-11-9-21(20)27-22/h3-15H,1-2H3,(H,26,28)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 92582474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).