[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H27N5O — CID 134705518

IUPAC[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CCNc2ncccc2C(=O)N2CCCC2)nc2c1CCCC2
InChIInChI=1S/C21H27N5O/c1-15-16-7-2-3-9-18(16)25-19(24-15)10-12-23-20-17(8-6-11-22-20)21(27)26-13-4-5-14-26/h6,8,11H,2-5,7,9-10,12-14H2,1H3,(H,22,23)
InChIKeyVEYMWHRMQDUSHY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.95
Rot. Bonds5

About [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 134705518) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID134705518
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CCNc2ncccc2C(=O)N2CCCC2)nc2c1CCCC2
InChIInChI=1S/C21H27N5O/c1-15-16-7-2-3-9-18(16)25-19(24-15)10-12-23-20-17(8-6-11-22-20)21(27)26-13-4-5-14-26/h6,8,11H,2-5,7,9-10,12-14H2,1H3,(H,22,23)
InChIKeyVEYMWHRMQDUSHY-UHFFFAOYSA-N
XLogP2.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
[5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 25274683
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
4-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethylamino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171907719
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
5-ethoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 91783712
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
[2-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133317596
1-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
CID 118778430
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 134705518) is [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1nc(CCNc2ncccc2C(=O)N2CCCC2)nc2c1CCCC2.
What is the InChIKey of [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VEYMWHRMQDUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-16-7-2-3-9-18(16)25-19(24-15)10-12-23-20-17(8-6-11-22-20)21(27)26-13-4-5-14-26/h6,8,11H,2-5,7,9-10,12-14H2,1H3,(H,22,23).
What are the key properties of [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134705518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).