4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

C20H25N5O — CID 109202033

IUPAC4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(NC4CC4)ccn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)23-20(26)19-14-17(8-9-21-19)22-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,22)(H,23,26)
InChIKeyBZJUKEWWWHOWMN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.66
Rot. Bonds5

About 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 109202033) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID109202033
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(NC4CC4)ccn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)23-20(26)19-14-17(8-9-21-19)22-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,22)(H,23,26)
InChIKeyBZJUKEWWWHOWMN-UHFFFAOYSA-N
XLogP2.66
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (CID 109202033) is 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3cc(NC4CC4)ccn3)cc2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BZJUKEWWWHOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)23-20(26)19-14-17(8-9-21-19)22-15-2-3-15/h4-9,14-15H,2-3,10-13H2,1H3,(H,21,22)(H,23,26).
What are the key properties of 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109202033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).