1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C24H29N5O2 — CID 45222783

IUPAC1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)N(C)Cc4ccccn4)C3)nc(C)c2c1
InChIInChI=1S/C24H29N5O2/c1-4-31-20-10-11-22-21(14-20)17(2)26-24(27-22)29-13-7-8-18(15-29)23(30)28(3)16-19-9-5-6-12-25-19/h5-6,9-12,14,18H,4,7-8,13,15-16H2,1-3H3
InChIKeyJTTDRRVJLUJGOX-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.61
Rot. Bonds6

About 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45222783) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45222783
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)N(C)Cc4ccccn4)C3)nc(C)c2c1
InChIInChI=1S/C24H29N5O2/c1-4-31-20-10-11-22-21(14-20)17(2)26-24(27-22)29-13-7-8-18(15-29)23(30)28(3)16-19-9-5-6-12-25-19/h5-6,9-12,14,18H,4,7-8,13,15-16H2,1-3H3
InChIKeyJTTDRRVJLUJGOX-UHFFFAOYSA-N
XLogP3.61
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 26316213
(3S)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 42169579
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 45177308
[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210
(3R)-1-(3-cyano-6-methyl-2-pyridinyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97219868
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
4-[1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]thiomorpholine
CID 118758928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 126466431
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
CID 45168993
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-pyrazol-1-ylethyl)azepan-4-amine
CID 45202558
(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 26281212

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 45222783) is 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCOc1ccc2nc(N3CCCC(C(=O)N(C)Cc4ccccn4)C3)nc(C)c2c1.
What is the InChIKey of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JTTDRRVJLUJGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-31-20-10-11-22-21(14-20)17(2)26-24(27-22)29-13-7-8-18(15-29)23(30)28(3)16-19-9-5-6-12-25-19/h5-6,9-12,14,18H,4,7-8,13,15-16H2,1-3H3.
What are the key properties of 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45222783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).