N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane

C23H30N6O2 — CID 158648688

IUPACN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
SMILESC.CN(C)c1nc(NC2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)nc2ccccc12
InChIInChI=1S/C22H26N6O2.CH4/c1-28(2)20-17-5-3-4-6-18(17)26-22(27-20)25-16-10-8-15(9-11-16)24-21(30)14-7-12-19(29)23-13-14;/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,26,27);1H4
InChIKeyIBGYTBANPORFLQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.17
Rot. Bonds5

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane (PubChem CID 158648688) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
PubChem CID158648688
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane
SMILESC.CN(C)c1nc(NC2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)nc2ccccc12
InChIInChI=1S/C22H26N6O2.CH4/c1-28(2)20-17-5-3-4-6-18(17)26-22(27-20)25-16-10-8-15(9-11-16)24-21(30)14-7-12-19(29)23-13-14;/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,26,27);1H4
InChIKeyIBGYTBANPORFLQ-UHFFFAOYSA-N
XLogP3.17
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane with MolForge

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Related Compounds

[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]urea
CID 68955806
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(4-methylbenzoyl)benzamide
CID 10164382
1-cyclopropyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612634
4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68883216
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 162311266
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 162304567
1-cyclopentyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612155
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 162306900
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 70997500
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 10227571
1-cyclooctyl-3-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]thiourea
CID 87612310

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane?
The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane (CID 158648688) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane.
What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane?
The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane is C.CN(C)c1nc(NC2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)nc2ccccc12.
What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane?
The InChIKey is IBGYTBANPORFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.CH4/c1-28(2)20-17-5-3-4-6-18(17)26-22(27-20)25-16-10-8-15(9-11-16)24-21(30)14-7-12-19(29)23-13-14;/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,23,29)(H,24,30)(H,25,26,27);1H4.
What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane?
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane has a molecular weight of 422.53 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide;methane is sourced from PubChem (CID 158648688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).