(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide

C24H32N6O2 — CID 26316213

IUPAC(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4cn(C)nc4C)C3)nc(C)c2c1
InChIInChI=1S/C24H32N6O2/c1-6-32-20-9-10-22-21(12-20)17(3)25-24(26-22)30-11-7-8-18(15-30)23(31)28(4)13-19-14-29(5)27-16(19)2/h9-10,12,14,18H,6-8,11,13,15H2,1-5H3/t18-/m0/s1
InChIKeyYJJZDEHXSLGLAN-SFHVURJKSA-N
MW436.56 g/mol
LogP3.25
Rot. Bonds6

About (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide

(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 26316213) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide
PubChem CID26316213
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4cn(C)nc4C)C3)nc(C)c2c1
InChIInChI=1S/C24H32N6O2/c1-6-32-20-9-10-22-21(12-20)17(3)25-24(26-22)30-11-7-8-18(15-30)23(31)28(4)13-19-14-29(5)27-16(19)2/h9-10,12,14,18H,6-8,11,13,15H2,1-5H3/t18-/m0/s1
InChIKeyYJJZDEHXSLGLAN-SFHVURJKSA-N
XLogP3.25
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45222783
(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
(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 26281212
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
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxan-4-ylmethyl)azepan-4-amine
CID 45168543
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-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 26280928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45184040
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(2-pyrazol-1-ylethyl)azepan-4-amine
CID 45202558

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide (CID 26316213) is (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide is CCOc1ccc2nc(N3CCC[C@H](C(=O)N(C)Cc4cn(C)nc4C)C3)nc(C)c2c1.
What is the InChIKey of (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is YJJZDEHXSLGLAN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-6-32-20-9-10-22-21(12-20)17(3)25-24(26-22)30-11-7-8-18(15-30)23(31)28(4)13-19-14-29(5)27-16(19)2/h9-10,12,14,18H,6-8,11,13,15H2,1-5H3/t18-/m0/s1.
What are the key properties of (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide?
(3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 26316213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).