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

C19H25N5O2 — CID 11971553

IUPACN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20/h2-8H,9-14,20H2,1H3,(H,21,25)
InChIKeyRWFDZDNBYLWMGL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.82
Rot. Bonds6

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

N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 11971553) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID11971553
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1
InChIInChI=1S/C19H25N5O2/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20/h2-8H,9-14,20H2,1H3,(H,21,25)
InChIKeyRWFDZDNBYLWMGL-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959649
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
1-(2-chloroethyl)-4-(6-methoxy-2-pyridinyl)-1,4-diazepane
CID 63587438
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 63590796

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide (CID 11971553) is N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide is COc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1.
What is the InChIKey of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is RWFDZDNBYLWMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20/h2-8H,9-14,20H2,1H3,(H,21,25).
What are the key properties of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide?
N-(2-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-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 11971553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).