2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide

C24H23N7O — CID 138587517

IUPAC2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5ccccn5)cc4n3)ccn2)CC1
InChIInChI=1S/C24H23N7O/c1-30-10-12-31(13-11-30)22-15-18(7-9-26-22)23(32)29-24-27-16-19-6-5-17(14-21(19)28-24)20-4-2-3-8-25-20/h2-9,14-16H,10-13H2,1H3,(H,27,28,29,32)
InChIKeyAMNNIJLMBSMBHK-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide (PubChem CID 138587517) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
PubChem CID138587517
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5ccccn5)cc4n3)ccn2)CC1
InChIInChI=1S/C24H23N7O/c1-30-10-12-31(13-11-30)22-15-18(7-9-26-22)23(32)29-24-27-16-19-6-5-17(14-21(19)28-24)20-4-2-3-8-25-20/h2-9,14-16H,10-13H2,1H3,(H,27,28,29,32)
InChIKeyAMNNIJLMBSMBHK-UHFFFAOYSA-N
XLogP3.09
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138604939
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589079
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
2-(4-methylpiperazin-1-yl)-N-[7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589711
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-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
(4-methoxyphenyl)methyl-[5-[2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]quinazolin-7-yl]-1,3-thiazol-2-yl]carbamic acid
CID 138591807
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[7-(1,3-oxazol-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588787

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide (CID 138587517) is 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5ccccn5)cc4n3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide?
The InChIKey is AMNNIJLMBSMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-30-10-12-31(13-11-30)22-15-18(7-9-26-22)23(32)29-24-27-16-19-6-5-17(14-21(19)28-24)20-4-2-3-8-25-20/h2-9,14-16H,10-13H2,1H3,(H,27,28,29,32).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138587517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).