N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine

C19H23N5O2 — CID 133273120

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1
InChIInChI=1S/C19H23N5O2/c25-24(26)18-6-7-19(20-13-18)21-16-2-1-3-17(12-16)23-10-8-22(9-11-23)14-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,20,21)
InChIKeyLYNXRKOVDFCZMP-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.27
Rot. Bonds6

About N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine (PubChem CID 133273120) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine
PubChem CID133273120
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1
InChIInChI=1S/C19H23N5O2/c25-24(26)18-6-7-19(20-13-18)21-16-2-1-3-17(12-16)23-10-8-22(9-11-23)14-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,20,21)
InChIKeyLYNXRKOVDFCZMP-UHFFFAOYSA-N
XLogP3.27
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine (CID 133273120) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)nc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine?
The InChIKey is LYNXRKOVDFCZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-24(26)18-6-7-19(20-13-18)21-16-2-1-3-17(12-16)23-10-8-22(9-11-23)14-15-4-5-15/h1-3,6-7,12-13,15H,4-5,8-11,14H2,(H,20,21).
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine has a molecular weight of 353.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133273120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).