[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

C12H17N3O — CID 62181147

IUPAC[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCC(C)C2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-4-6-15(8-9)12(16)10-3-5-14-11(7-10)13-2/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyUSJSEKCKMAKKPB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.61
Rot. Bonds2

About [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62181147) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62181147
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCC(C)C2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-4-6-15(8-9)12(16)10-3-5-14-11(7-10)13-2/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14)
InChIKeyUSJSEKCKMAKKPB-UHFFFAOYSA-N
XLogP1.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
(2R)-N-cyclopentyl-4-[2-(methylamino)pyridine-4-carbonyl]morpholine-2-carboxamide
CID 92633303
N-cyclopentyl-4-[2-(methylamino)pyridine-4-carbonyl]morpholine-2-carboxamide
CID 110246675
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
(9aR)-2-[2-(methylamino)pyridine-4-carbonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95121807
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
[(3S,4R)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 133110896
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (CID 62181147) is [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is CNc1cc(C(=O)N2CCC(C)C2)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is USJSEKCKMAKKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-6-15(8-9)12(16)10-3-5-14-11(7-10)13-2/h3,5,7,9H,4,6,8H2,1-2H3,(H,13,14).
What are the key properties of [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62181147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).