N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

C20H25N5O — CID 109165227

IUPACN-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(C(=O)NC4CC4)ccn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)22-19-14-15(8-9-21-19)20(26)23-17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,21,22)(H,23,26)
InChIKeyBSJOCIKRDNOBST-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.47
Rot. Bonds5

About N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (PubChem CID 109165227) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
PubChem CID109165227
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(Nc3cc(C(=O)NC4CC4)ccn3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)22-19-14-15(8-9-21-19)20(26)23-17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,21,22)(H,23,26)
InChIKeyBSJOCIKRDNOBST-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109174202
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (CID 109165227) is N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is CN1CCN(c2ccc(Nc3cc(C(=O)NC4CC4)ccn3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The InChIKey is BSJOCIKRDNOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-24-10-12-25(13-11-24)18-6-4-16(5-7-18)22-19-14-15(8-9-21-19)20(26)23-17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,21,22)(H,23,26).
What are the key properties of N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109165227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).