N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide

C19H21N5O2 — CID 154795416

IUPACN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2ccncc12
InChIInChI=1S/C19H21N5O2/c1-24-9-8-22-18(24)17-13(3-2-10-26-17)11-23-19(25)14-4-7-21-16-5-6-20-12-15(14)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25)/t13-,17+/m0/s1
InChIKeyFBAONEHOLGPGEB-SUMWQHHRSA-N
MW351.41 g/mol
LogP2.26
Rot. Bonds4

About N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide (PubChem CID 154795416) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
PubChem CID154795416
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2ccncc12
InChIInChI=1S/C19H21N5O2/c1-24-9-8-22-18(24)17-13(3-2-10-26-17)11-23-19(25)14-4-7-21-16-5-6-20-12-15(14)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25)/t13-,17+/m0/s1
InChIKeyFBAONEHOLGPGEB-SUMWQHHRSA-N
XLogP2.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
CID 167941440
6-(2-methoxyethoxy)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyridin-3-amine
CID 154761375
N-[(5-bromofuran-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 167805309
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid;hydrochloride
CID 155858673
2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154762087
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 154802200
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154762348
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide (CID 154795416) is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide is Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccnc2ccncc12.
What is the InChIKey of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide?
The InChIKey is FBAONEHOLGPGEB-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-9-8-22-18(24)17-13(3-2-10-26-17)11-23-19(25)14-4-7-21-16-5-6-20-12-15(14)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25)/t13-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide?
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide is sourced from PubChem (CID 154795416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).