(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

C12H17N3O — CID 81242747

IUPAC(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C12H17N3O/c1-8-3-4-15(7-8)12(16)10-6-14-9(2)5-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyJNIIQSUVDOKFMO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds1

About (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 81242747) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID81242747
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(N)c(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C12H17N3O/c1-8-3-4-15(7-8)12(16)10-6-14-9(2)5-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyJNIIQSUVDOKFMO-UHFFFAOYSA-N
XLogP1.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 81235790
[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81242822
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 81246007
(4-amino-6-methyl-3-pyridinyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81243379
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(4-amino-6-methyl-3-pyridinyl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 81245179
4-(4-amino-6-methylpyridine-3-carbonyl)-3-methylpiperazin-2-one
CID 81241204
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 81236621
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (CID 81242747) is (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is Cc1cc(N)c(C(=O)N2CCC(C)C2)cn1.
What is the InChIKey of (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is JNIIQSUVDOKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-3-4-15(7-8)12(16)10-6-14-9(2)5-11(10)13/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
(4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81242747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).