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

C18H21N5O — CID 167941440

IUPACN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccnc2ccncc12
InChIInChI=1S/C18H21N5O/c1-23-9-8-21-18(23)17-13(3-2-10-24-17)11-22-16-5-7-20-15-4-6-19-12-14(15)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,20,22)/t13-,17+/m0/s1
InChIKeyKQNKHUAPBZGXDR-SUMWQHHRSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds4

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

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine (PubChem CID 167941440) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
PubChem CID167941440
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine
SMILESCn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccnc2ccncc12
InChIInChI=1S/C18H21N5O/c1-23-9-8-21-18(23)17-13(3-2-10-24-17)11-22-16-5-7-20-15-4-6-19-12-14(15)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,20,22)/t13-,17+/m0/s1
InChIKeyKQNKHUAPBZGXDR-SUMWQHHRSA-N
XLogP2.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine with MolForge

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Related Compounds

N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridine-4-carboxamide
CID 154795416
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
4-N-cyclopropyl-6-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]pyrimidine-4,6-diamine
CID 154761150
N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methanamine
CID 154761202
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
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
2-(3-ethyl-4-pyridinyl)-5-[(2R,3R)-2-(1-methylimidazol-2-yl)oxan-3-yl]-1,3,4-oxadiazole
CID 154762087
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 128992705
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1-quinolin-2-ylethanamine
CID 167805099
1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
CID 154761426

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine?
The IUPAC name of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine (CID 167941440) is N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine?
The canonical SMILES for N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine is Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccnc2ccncc12.
What is the InChIKey of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine?
The InChIKey is KQNKHUAPBZGXDR-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23-9-8-21-18(23)17-13(3-2-10-24-17)11-22-16-5-7-20-15-4-6-19-12-14(15)16/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,20,22)/t13-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine?
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]-1,6-naphthyridin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.94, 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-naphthyridin-4-amine is sourced from PubChem (CID 167941440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).