N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C22H29N5O2 — CID 109229049

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cncc(NCC4CCCO4)c3)cc2)CC1
InChIInChI=1S/C22H29N5O2/c1-26-8-10-27(11-9-26)20-6-4-18(5-7-20)25-22(28)17-13-19(15-23-14-17)24-16-21-3-2-12-29-21/h4-7,13-15,21,24H,2-3,8-12,16H2,1H3,(H,25,28)
InChIKeyUPWIKIXCLYACJE-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.68
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109229049) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109229049
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cncc(NCC4CCCO4)c3)cc2)CC1
InChIInChI=1S/C22H29N5O2/c1-26-8-10-27(11-9-26)20-6-4-18(5-7-20)25-22(28)17-13-19(15-23-14-17)24-16-21-3-2-12-29-21/h4-7,13-15,21,24H,2-3,8-12,16H2,1H3,(H,25,28)
InChIKeyUPWIKIXCLYACJE-UHFFFAOYSA-N
XLogP2.68
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
5-(oxolan-2-ylmethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109185237
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298
5-(prop-2-enylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109224296
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109229049) is N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is CN1CCN(c2ccc(NC(=O)c3cncc(NCC4CCCO4)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is UPWIKIXCLYACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26-8-10-27(11-9-26)20-6-4-18(5-7-20)25-22(28)17-13-19(15-23-14-17)24-16-21-3-2-12-29-21/h4-7,13-15,21,24H,2-3,8-12,16H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).