5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile

C14H15N3O2 — CID 126832552

IUPAC5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile
SMILESN#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H15N3O2/c15-9-10-5-6-12-11(16-10)3-1-7-17(12)14(18)13-4-2-8-19-13/h5-6,13H,1-4,7-8H2/t13-/m1/s1
InChIKeyBLQHBCPVXKDRQV-CYBMUJFWSA-N
MW257.29 g/mol
LogP1.41
Rot. Bonds1

About 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile

5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile (PubChem CID 126832552) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile
PubChem CID126832552
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile
SMILESN#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCO1
InChIInChI=1S/C14H15N3O2/c15-9-10-5-6-12-11(16-10)3-1-7-17(12)14(18)13-4-2-8-19-13/h5-6,13H,1-4,7-8H2/t13-/m1/s1
InChIKeyBLQHBCPVXKDRQV-CYBMUJFWSA-N
XLogP1.41
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030083
2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone
CID 159405619
[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
CID 82259331
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2R)-oxolan-2-yl]methanone
CID 96500959
tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
CID 122134015
5-nitro-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 7761304
(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 172881446
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-2-yl)methanone
CID 110639147
(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 71933453

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile (CID 126832552) is 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile is N#Cc1ccc2c(n1)CCCN2C(=O)[C@H]1CCCO1.
What is the InChIKey of 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile?
The InChIKey is BLQHBCPVXKDRQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-9-10-5-6-12-11(16-10)3-1-7-17(12)14(18)13-4-2-8-19-13/h5-6,13H,1-4,7-8H2/t13-/m1/s1.
What are the key properties of 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile?
5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 126832552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).