N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide

C22H25N5O2 — CID 109187612

IUPACN-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nc3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-26-10-12-27(13-11-26)19-7-4-17(5-8-19)25-18-6-9-21(23-15-18)22(28)24-16-20-3-2-14-29-20/h2-9,14-15,25H,10-13,16H2,1H3,(H,24,28)
InChIKeyQBHHWPBTOZCREV-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide

N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide (PubChem CID 109187612) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
PubChem CID109187612
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nc3)cc2)CC1
InChIInChI=1S/C22H25N5O2/c1-26-10-12-27(13-11-26)19-7-4-17(5-8-19)25-18-6-9-21(23-15-18)22(28)24-16-20-3-2-14-29-20/h2-9,14-15,25H,10-13,16H2,1H3,(H,24,28)
InChIKeyQBHHWPBTOZCREV-UHFFFAOYSA-N
XLogP3.10
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
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

5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187509
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
5-(2-ethylanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187557
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574054
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109182359
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
5-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187626
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide (CID 109187612) is N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide is CN1CCN(c2ccc(Nc3ccc(C(=O)NCc4ccco4)nc3)cc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
The InChIKey is QBHHWPBTOZCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-10-12-27(13-11-26)19-7-4-17(5-8-19)25-18-6-9-21(23-15-18)22(28)24-16-20-3-2-14-29-20/h2-9,14-15,25H,10-13,16H2,1H3,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide?
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109187612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).