N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C22H22N8OS — CID 138589244

IUPACN-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnc(N)s5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C22H22N8OS/c1-29-4-6-30(7-5-29)20-10-14(2-3-24-20)21(31)28-19-9-15-8-16(11-25-17(15)12-26-19)18-13-27-22(23)32-18/h2-3,8-13H,4-7H2,1H3,(H2,23,27)(H,26,28,31)
InChIKeyWOJMLEJIOHRHHS-UHFFFAOYSA-N
MW446.54 g/mol
LogP2.73
Rot. Bonds4

About N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 138589244) has the molecular formula C22H22N8OS and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID138589244
Molecular FormulaC22H22N8OS
Molecular Weight446.54 g/mol
Exact Mass446.16
IUPAC NameN-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnc(N)s5)cnc4cn3)ccn2)CC1
InChIInChI=1S/C22H22N8OS/c1-29-4-6-30(7-5-29)20-10-14(2-3-24-20)21(31)28-19-9-15-8-16(11-25-17(15)12-26-19)18-13-27-22(23)32-18/h2-3,8-13H,4-7H2,1H3,(H2,23,27)(H,26,28,31)
InChIKeyWOJMLEJIOHRHHS-UHFFFAOYSA-N
XLogP2.73
TPSA113.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587897
N-[3-[6-(dimethylamino)-3-pyridinyl]-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590492
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731
2-(4-methylpiperazin-1-yl)-N-[3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590737
N-[6-(5-amino-3-pyridinyl)isoquinolin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138586311
2-(4-methylpiperazin-1-yl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138590328
2-(4-aminopiperidin-1-yl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587956
2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588795
N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138604939
2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138590297
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 138589244) is N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnc(N)s5)cnc4cn3)ccn2)CC1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is WOJMLEJIOHRHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8OS/c1-29-4-6-30(7-5-29)20-10-14(2-3-24-20)21(31)28-19-9-15-8-16(11-25-17(15)12-26-19)18-13-27-22(23)32-18/h2-3,8-13H,4-7H2,1H3,(H2,23,27)(H,26,28,31).
What are the key properties of N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138589244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).