1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone

C19H21ClN4O — CID 176943896

IUPAC1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone
SMILESCc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccccn3)C1)CC2
InChIInChI=1S/C19H21ClN4O/c1-13-8-17(20)22-16-5-7-23(12-15(13)16)19(25)9-14-10-24(11-14)18-4-2-3-6-21-18/h2-4,6,8,14H,5,7,9-12H2,1H3
InChIKeyBVJFBRRFGVUOHR-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone

1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone (PubChem CID 176943896) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone
PubChem CID176943896
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone
SMILESCc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccccn3)C1)CC2
InChIInChI=1S/C19H21ClN4O/c1-13-8-17(20)22-16-5-7-23(12-15(13)16)19(25)9-14-10-24(11-14)18-4-2-3-6-21-18/h2-4,6,8,14H,5,7,9-12H2,1H3
InChIKeyBVJFBRRFGVUOHR-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
CID 176943887
1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808517
2-[1-(2-bromo-4-pyridinyl)azetidin-3-yl]-1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 172578132
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
CID 140830554
1-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]ethanone;ethane
CID 177061202
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(thian-4-yl)ethanone
CID 110854887
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
CID 134792898
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone (CID 176943896) is 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone is Cc1cc(Cl)nc2c1CN(C(=O)CC1CN(c3ccccn3)C1)CC2.
What is the InChIKey of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone?
The InChIKey is BVJFBRRFGVUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-13-8-17(20)22-16-5-7-23(12-15(13)16)19(25)9-14-10-24(11-14)18-4-2-3-6-21-18/h2-4,6,8,14H,5,7,9-12H2,1H3.
What are the key properties of 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone?
1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone has a molecular weight of 356.86 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone is sourced from PubChem (CID 176943896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).