(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide

C22H27N5O — CID 117055199

IUPAC(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1nc2c(c(N3CCC(NC(=O)/C=C/c4cccnc4)CC3)n1)CCCC2
InChIInChI=1S/C22H27N5O/c1-16-24-20-7-3-2-6-19(20)22(25-16)27-13-10-18(11-14-27)26-21(28)9-8-17-5-4-12-23-15-17/h4-5,8-9,12,15,18H,2-3,6-7,10-11,13-14H2,1H3,(H,26,28)/b9-8+
InChIKeyMEYKZEQAXIAKTC-CMDGGOBGSA-N
MW377.49 g/mol
LogP2.86
Rot. Bonds4

About (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 117055199) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID117055199
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1nc2c(c(N3CCC(NC(=O)/C=C/c4cccnc4)CC3)n1)CCCC2
InChIInChI=1S/C22H27N5O/c1-16-24-20-7-3-2-6-19(20)22(25-16)27-13-10-18(11-14-27)26-21(28)9-8-17-5-4-12-23-15-17/h4-5,8-9,12,15,18H,2-3,6-7,10-11,13-14H2,1H3,(H,26,28)/b9-8+
InChIKeyMEYKZEQAXIAKTC-CMDGGOBGSA-N
XLogP2.86
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
CID 91631721
5-chloro-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 91631760
1-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 91817882
tert-butyl N-[(3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-yl]carbamate
CID 133472766
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 98512279
(Z)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 100831445
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide (CID 117055199) is (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide is Cc1nc2c(c(N3CCC(NC(=O)/C=C/c4cccnc4)CC3)n1)CCCC2.
What is the InChIKey of (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is MEYKZEQAXIAKTC-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-24-20-7-3-2-6-19(20)22(25-16)27-13-10-18(11-14-27)26-21(28)9-8-17-5-4-12-23-15-17/h4-5,8-9,12,15,18H,2-3,6-7,10-11,13-14H2,1H3,(H,26,28)/b9-8+.
What are the key properties of (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 377.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 117055199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).