N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide

C19H17N5O2 — CID 170627430

IUPACN-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3nc4ccccc4o3)cnc(NC)c2cn1
InChIInChI=1S/C19H17N5O2/c1-3-17(25)24-16-8-11-12(9-21-16)18(20-2)22-10-13(11)19-23-14-6-4-5-7-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24,25)
InChIKeyPOTRLKHTDRRPLJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.83
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide

N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide (PubChem CID 170627430) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
PubChem CID170627430
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2c(-c3nc4ccccc4o3)cnc(NC)c2cn1
InChIInChI=1S/C19H17N5O2/c1-3-17(25)24-16-8-11-12(9-21-16)18(20-2)22-10-13(11)19-23-14-6-4-5-7-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24,25)
InChIKeyPOTRLKHTDRRPLJ-UHFFFAOYSA-N
XLogP3.83
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide
CID 170627217
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
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-[5-[(2R)-1-methoxypropan-2-yl]oxy-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627056
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
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-[8-(methylamino)-5-(5-phenyl-1,3-oxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626556
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
N-[5-[5-[(2S)-2-cyanoazetidin-1-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626716
N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627478

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide (CID 170627430) is N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide is CCC(=O)Nc1cc2c(-c3nc4ccccc4o3)cnc(NC)c2cn1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide?
The InChIKey is POTRLKHTDRRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-17(25)24-16-8-11-12(9-21-16)18(20-2)22-10-13(11)19-23-14-6-4-5-7-15(14)26-19/h4-10H,3H2,1-2H3,(H,20,22)(H,21,24,25).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide?
N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide is sourced from PubChem (CID 170627430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).