N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine

C20H27N5O — CID 166841921

IUPACN-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine
SMILES[H]/N=C/c1ccc(OC(C)C)cc1Nc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)26-18-5-4-16(14-21)19(13-18)23-17-6-7-22-20(12-17)25-10-8-24(3)9-11-25/h4-7,12-15,21H,8-11H2,1-3H3,(H,22,23)/b21-14+
InChIKeyLPIZWYRHIBNJRV-KGENOOAVSA-N
MW353.47 g/mol
LogP3.36
Rot. Bonds6

About N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine

N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine (PubChem CID 166841921) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine
PubChem CID166841921
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine
SMILES[H]/N=C/c1ccc(OC(C)C)cc1Nc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C20H27N5O/c1-15(2)26-18-5-4-16(14-21)19(13-18)23-17-6-7-22-20(12-17)25-10-8-24(3)9-11-25/h4-7,12-15,21H,8-11H2,1-3H3,(H,22,23)/b21-14+
InChIKeyLPIZWYRHIBNJRV-KGENOOAVSA-N
XLogP3.36
TPSA64.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The IUPAC name of N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine (CID 166841921) is N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine.
What is the SMILES notation for N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The canonical SMILES for N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine is [H]/N=C/c1ccc(OC(C)C)cc1Nc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
The InChIKey is LPIZWYRHIBNJRV-KGENOOAVSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15(2)26-18-5-4-16(14-21)19(13-18)23-17-6-7-22-20(12-17)25-10-8-24(3)9-11-25/h4-7,12-15,21H,8-11H2,1-3H3,(H,22,23)/b21-14+.
What are the key properties of N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine?
N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoyl-5-propan-2-yloxyphenyl)-2-(4-methylpiperazin-1-yl)pyridin-4-amine is sourced from PubChem (CID 166841921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).