N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide

C15H21N3O4 — CID 177015877

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ccc2c(n1)CCCN2
InChIInChI=1S/C15H21N3O4/c19-12-5-7-22-13(14(12)20)8-17-15(21)11-4-3-9-10(18-11)2-1-6-16-9/h3-4,12-14,16,19-20H,1-2,5-8H2,(H,17,21)
InChIKeyMUVQQZSUNVPRDJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.32
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide

N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide (PubChem CID 177015877) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
PubChem CID177015877
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ccc2c(n1)CCCN2
InChIInChI=1S/C15H21N3O4/c19-12-5-7-22-13(14(12)20)8-17-15(21)11-4-3-9-10(18-11)2-1-6-16-9/h3-4,12-14,16,19-20H,1-2,5-8H2,(H,17,21)
InChIKeyMUVQQZSUNVPRDJ-UHFFFAOYSA-N
XLogP-0.32
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
CID 171557478
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
CID 171556730
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61024481
3-cyano-N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-pyrazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556881
5,6,7,8-tetrahydro-1,5-naphthyridin-2-amine
CID 130119178
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxamide
CID 167221957
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide (CID 177015877) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide is O=C(NCC1OCCC(O)C1O)c1ccc2c(n1)CCCN2.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?
The InChIKey is MUVQQZSUNVPRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c19-12-5-7-22-13(14(12)20)8-17-15(21)11-4-3-9-10(18-11)2-1-6-16-9/h3-4,12-14,16,19-20H,1-2,5-8H2,(H,17,21).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.32, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5,6,7,8-tetrahydro-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 177015877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).