(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

C13H17N3O2 — CID 134435993

IUPAC(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCOc1ccnc(C(=O)N2C3CC2CN(C)C3)c1
InChIInChI=1S/C13H17N3O2/c1-15-7-9-5-10(8-15)16(9)13(17)12-6-11(18-2)3-4-14-12/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyXHGWBCUKZJVAFR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.62
Rot. Bonds2

About (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone

(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (PubChem CID 134435993) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
PubChem CID134435993
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
SMILESCOc1ccnc(C(=O)N2C3CC2CN(C)C3)c1
InChIInChI=1S/C13H17N3O2/c1-15-7-9-5-10(8-15)16(9)13(17)12-6-11(18-2)3-4-14-12/h3-4,6,9-10H,5,7-8H2,1-2H3
InChIKeyXHGWBCUKZJVAFR-UHFFFAOYSA-N
XLogP0.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone with MolForge

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Related Compounds

(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(5-methyl-2-pyridinyl)methanone
CID 134435081
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(4-methoxy-2-pyridinyl)methanone
CID 146043002
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate
CID 174428157
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(4-methoxy-2-pyridinyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 163305870
6-[4-(4-methoxypyridine-2-carbonyl)-1,4-diazepane-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 135105208
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(4-methoxy-2-pyridinyl)methanone
CID 134712136
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
4-methoxypyridine-2-carbothioamide
CID 62926631

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The IUPAC name of (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone (CID 134435993) is (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone.
What is the SMILES notation for (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The canonical SMILES for (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is COc1ccnc(C(=O)N2C3CC2CN(C)C3)c1.
What is the InChIKey of (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
The InChIKey is XHGWBCUKZJVAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-7-9-5-10(8-15)16(9)13(17)12-6-11(18-2)3-4-14-12/h3-4,6,9-10H,5,7-8H2,1-2H3.
What are the key properties of (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone?
(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone is sourced from PubChem (CID 134435993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).