1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine

C23H19N5O2 — CID 170627240

IUPAC1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3cc(OCc4ccccc4)ccc3o2)c2cc(N)ncc12
InChIInChI=1S/C23H19N5O2/c1-25-22-17-11-26-21(24)10-16(17)18(12-27-22)23-28-19-9-15(7-8-20(19)30-23)29-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,24,26)(H,25,27)
InChIKeyUGFPFQWOMRCELE-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.64
Rot. Bonds5

About 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine

1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 170627240) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID170627240
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine
SMILESCNc1ncc(-c2nc3cc(OCc4ccccc4)ccc3o2)c2cc(N)ncc12
InChIInChI=1S/C23H19N5O2/c1-25-22-17-11-26-21(24)10-16(17)18(12-27-22)23-28-19-9-15(7-8-20(19)30-23)29-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,24,26)(H,25,27)
InChIKeyUGFPFQWOMRCELE-UHFFFAOYSA-N
XLogP4.64
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
CID 170627055
butyl N-[2-[6-amino-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]-N-methylcarbamate
CID 177158902
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
N-[5-[5-[(2S)-2-methoxypropoxy]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627057
N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
CID 170627430
trans-(1R,2S)-2-(hydroxymethyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170626862
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-[5-[(2R)-1-methoxypropan-2-yl]oxy-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627056
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine (CID 170627240) is 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine is CNc1ncc(-c2nc3cc(OCc4ccccc4)ccc3o2)c2cc(N)ncc12.
What is the InChIKey of 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is UGFPFQWOMRCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-25-22-17-11-26-21(24)10-16(17)18(12-27-22)23-28-19-9-15(7-8-20(19)30-23)29-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine?
1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 397.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-(5-phenylmethoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 170627240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).