2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

C25H28N8O — CID 138589294

IUPAC2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN1CCC(N(C)c2cc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)ccn2)CC1
InChIInChI=1S/C25H28N8O/c1-31-10-7-21(8-11-31)33(3)23-13-18(6-9-26-23)24(34)30-25-27-14-19-5-4-17(12-22(19)29-25)20-15-28-32(2)16-20/h4-6,9,12-16,21H,7-8,10-11H2,1-3H3,(H,27,29,30,34)
InChIKeyYNINVYXIHWXXLX-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.21
Rot. Bonds5

About 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138589294) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
PubChem CID138589294
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN1CCC(N(C)c2cc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)ccn2)CC1
InChIInChI=1S/C25H28N8O/c1-31-10-7-21(8-11-31)33(3)23-13-18(6-9-26-23)24(34)30-25-27-14-19-5-4-17(12-22(19)29-25)20-15-28-32(2)16-20/h4-6,9,12-16,21H,7-8,10-11H2,1-3H3,(H,27,29,30,34)
InChIKeyYNINVYXIHWXXLX-UHFFFAOYSA-N
XLogP3.21
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
CID 138588725
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (CID 138589294) is 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is CN1CCC(N(C)c2cc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)ccn2)CC1.
What is the InChIKey of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The InChIKey is YNINVYXIHWXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c1-31-10-7-21(8-11-31)33(3)23-13-18(6-9-26-23)24(34)30-25-27-14-19-5-4-17(12-22(19)29-25)20-15-28-32(2)16-20/h4-6,9,12-16,21H,7-8,10-11H2,1-3H3,(H,27,29,30,34).
What are the key properties of 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).