(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate

C19H24N4O2 — CID 160559675

IUPAC(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate
SMILESCN1CCC(COC(=O)Cc2nc(-c3cccnc3)ccc2N)CC1
InChIInChI=1S/C19H24N4O2/c1-23-9-6-14(7-10-23)13-25-19(24)11-18-16(20)4-5-17(22-18)15-3-2-8-21-12-15/h2-5,8,12,14H,6-7,9-11,13,20H2,1H3
InChIKeyXOBDGJTVWDHDNO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds5

About (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate

(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate (PubChem CID 160559675) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate
PubChem CID160559675
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate
SMILESCN1CCC(COC(=O)Cc2nc(-c3cccnc3)ccc2N)CC1
InChIInChI=1S/C19H24N4O2/c1-23-9-6-14(7-10-23)13-25-19(24)11-18-16(20)4-5-17(22-18)15-3-2-8-21-12-15/h2-5,8,12,14H,6-7,9-11,13,20H2,1H3
InChIKeyXOBDGJTVWDHDNO-UHFFFAOYSA-N
XLogP2.15
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 147399624
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979
(4R)-1-methyl-4-[(6-pyridin-3-ylpyridazin-3-yl)methyl]azepane
CID 95825329
ethyl 2-[8-(cyclopropylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]acetate
CID 139617261
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133288141
5-[(3R)-1-methylpyrrolidin-3-yl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 156695484
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
CID 95212752
ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 134798634
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
4-(1,3-dimethylpiperidin-4-yl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 114504953

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate (CID 160559675) is (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate is CN1CCC(COC(=O)Cc2nc(-c3cccnc3)ccc2N)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate?
The InChIKey is XOBDGJTVWDHDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-9-6-14(7-10-23)13-25-19(24)11-18-16(20)4-5-17(22-18)15-3-2-8-21-12-15/h2-5,8,12,14H,6-7,9-11,13,20H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate?
(1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate has a molecular weight of 340.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)acetate is sourced from PubChem (CID 160559675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).