2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide

C24H26N8OS — CID 138589135

IUPAC2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN(C)c1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CC(N(C)C)C5)c4)nc3c2)s1
InChIInChI=1S/C24H26N8OS/c1-30(2)18-13-32(14-18)21-10-16(7-8-25-21)22(33)29-23-26-11-17-6-5-15(9-19(17)28-23)20-12-27-24(34-20)31(3)4/h5-12,18H,13-14H2,1-4H3,(H,26,28,29,33)
InChIKeySRQQXHYLRLWWLE-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide

2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138589135) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide
PubChem CID138589135
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide
SMILESCN(C)c1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CC(N(C)C)C5)c4)nc3c2)s1
InChIInChI=1S/C24H26N8OS/c1-30(2)18-13-32(14-18)21-10-16(7-8-25-21)22(33)29-23-26-11-17-6-5-15(9-19(17)28-23)20-12-27-24(34-20)31(3)4/h5-12,18H,13-14H2,1-4H3,(H,26,28,29,33)
InChIKeySRQQXHYLRLWWLE-UHFFFAOYSA-N
XLogP3.22
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138604939
2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138591338
(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
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-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
CID 138588725
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
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
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589079
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide (CID 138589135) is 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide is CN(C)c1ncc(-c2ccc3cnc(NC(=O)c4ccnc(N5CC(N(C)C)C5)c4)nc3c2)s1.
What is the InChIKey of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide?
The InChIKey is SRQQXHYLRLWWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-30(2)18-13-32(14-18)21-10-16(7-8-25-21)22(33)29-23-26-11-17-6-5-15(9-19(17)28-23)20-12-27-24(34-20)31(3)4/h5-12,18H,13-14H2,1-4H3,(H,26,28,29,33).
What are the key properties of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide?
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138589135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).