[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H22N4O — CID 135089846

IUPAC[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(C(C)Nc2ncccc2C(=O)N2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-9-16(20-13)14(2)21-17-15(8-6-10-19-17)18(23)22-11-3-4-12-22/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyJXVVMCRVBSALQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.19
Rot. Bonds4

About [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135089846) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135089846
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(C(C)Nc2ncccc2C(=O)N2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-9-16(20-13)14(2)21-17-15(8-6-10-19-17)18(23)22-11-3-4-12-22/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyJXVVMCRVBSALQL-UHFFFAOYSA-N
XLogP3.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
[(3R,4S)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 97306187
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124682502
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808667
[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 71990815
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908

Frequently Asked Questions

What is the IUPAC name of [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135089846) is [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1cccc(C(C)Nc2ncccc2C(=O)N2CCCC2)n1.
What is the InChIKey of [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JXVVMCRVBSALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-5-9-16(20-13)14(2)21-17-15(8-6-10-19-17)18(23)22-11-3-4-12-22/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135089846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).