N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide

C19H25N5O2 — CID 13118150

IUPACN-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16/h2-8H,9-14,20H2,1H3,(H,21,25)
InChIKeyJJBFLDDWHPWOKS-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.82
Rot. Bonds6

About N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide

N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 13118150) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID13118150
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16/h2-8H,9-14,20H2,1H3,(H,21,25)
InChIKeyJJBFLDDWHPWOKS-UHFFFAOYSA-N
XLogP1.82
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide (CID 13118150) is N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide is COc1cccc(N2CCN(CCC(=O)Nc3ccc(N)cc3)CC2)n1.
What is the InChIKey of N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is JJBFLDDWHPWOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-19-4-2-3-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-7-5-15(20)6-8-16/h2-8H,9-14,20H2,1H3,(H,21,25).
What are the key properties of N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 13118150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).