2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H24N4O3 — CID 175689514

IUPAC2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(CC1CCCO1)CC1CCc2cccnc2N1C(N)=O
InChIInChI=1S/C17H24N4O3/c1-12(22)20(11-15-5-3-9-24-15)10-14-7-6-13-4-2-8-19-16(13)21(14)17(18)23/h2,4,8,14-15H,3,5-7,9-11H2,1H3,(H2,18,23)
InChIKeyYYWCDQXKKUMFRQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.31
Rot. Bonds4

About 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 175689514) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID175689514
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)N(CC1CCCO1)CC1CCc2cccnc2N1C(N)=O
InChIInChI=1S/C17H24N4O3/c1-12(22)20(11-15-5-3-9-24-15)10-14-7-6-13-4-2-8-19-16(13)21(14)17(18)23/h2,4,8,14-15H,3,5-7,9-11H2,1H3,(H2,18,23)
InChIKeyYYWCDQXKKUMFRQ-UHFFFAOYSA-N
XLogP1.31
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160227
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 95762761
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
3-[(2-methoxy-3-pyridinyl)methyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 94077984
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
N-(oxolan-2-ylmethyl)-N-[(6-propan-2-yl-3-pyridinyl)methyl]acetamide
CID 145198243
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
N-ethyl-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 61435217

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 175689514) is 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)N(CC1CCCO1)CC1CCc2cccnc2N1C(N)=O.
What is the InChIKey of 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is YYWCDQXKKUMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(22)20(11-15-5-3-9-24-15)10-14-7-6-13-4-2-8-19-16(13)21(14)17(18)23/h2,4,8,14-15H,3,5-7,9-11H2,1H3,(H2,18,23).
What are the key properties of 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 175689514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).