[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C22H28N4O — CID 72852388

IUPAC[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(CC1Cc2ccccc2CN1C)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C22H28N4O/c1-24-15-19-8-4-3-7-17(19)13-20(24)16-25(2)21-14-18(9-10-23-21)22(27)26-11-5-6-12-26/h3-4,7-10,14,20H,5-6,11-13,15-16H2,1-2H3
InChIKeyCVRKBVMYHIHFDO-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.81
Rot. Bonds4

About [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 72852388) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID72852388
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(CC1Cc2ccccc2CN1C)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C22H28N4O/c1-24-15-19-8-4-3-7-17(19)13-20(24)16-25(2)21-14-18(9-10-23-21)22(27)26-11-5-6-12-26/h3-4,7-10,14,20H,5-6,11-13,15-16H2,1-2H3
InChIKeyCVRKBVMYHIHFDO-UHFFFAOYSA-N
XLogP2.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537
N-methyl-2-[methyl-[4-(piperidine-1-carbonyl)-2-pyridinyl]amino]acetamide
CID 135101508
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
[3-[[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 28882916
N,1-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]indole-6-carboxamide
CID 70725270
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 70727512
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91774727
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
azepan-1-yl-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-pyridinyl]methanone
CID 109173464

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 72852388) is [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone is CN(CC1Cc2ccccc2CN1C)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CVRKBVMYHIHFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-15-19-8-4-3-7-17(19)13-20(24)16-25(2)21-14-18(9-10-23-21)22(27)26-11-5-6-12-26/h3-4,7-10,14,20H,5-6,11-13,15-16H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72852388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).