2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

C22H24N8O — CID 138587369

IUPAC2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ncc3ccc(-c4cnn(C)c4)cc3n2)ccn1
InChIInChI=1S/C22H24N8O/c1-29(2)9-8-24-20-11-16(6-7-23-20)21(31)28-22-25-12-17-5-4-15(10-19(17)27-22)18-13-26-30(3)14-18/h4-7,10-14H,8-9H2,1-3H3,(H,23,24)(H,25,27,28,31)
InChIKeyXSDTXDHPTOWABC-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.65
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138587369) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
PubChem CID138587369
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ncc3ccc(-c4cnn(C)c4)cc3n2)ccn1
InChIInChI=1S/C22H24N8O/c1-29(2)9-8-24-20-11-16(6-7-23-20)21(31)28-22-25-12-17-5-4-15(10-19(17)27-22)18-13-26-30(3)14-18/h4-7,10-14H,8-9H2,1-3H3,(H,23,24)(H,25,27,28,31)
InChIKeyXSDTXDHPTOWABC-UHFFFAOYSA-N
XLogP2.65
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
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
2-[2-(dimethylamino)ethoxy]-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138591319
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
CID 138588725
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
(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
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (CID 138587369) is 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2ncc3ccc(-c4cnn(C)c4)cc3n2)ccn1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The InChIKey is XSDTXDHPTOWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-29(2)9-8-24-20-11-16(6-7-23-20)21(31)28-22-25-12-17-5-4-15(10-19(17)27-22)18-13-26-30(3)14-18/h4-7,10-14H,8-9H2,1-3H3,(H,23,24)(H,25,27,28,31).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).