N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide

C21H29N3O2 — CID 71727897

IUPACN-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
InChIInChI=1S/C21H29N3O2/c1-3-5-6-7-15-22-19-9-8-10-20(23-19)24-21(25)17-11-13-18(14-12-17)26-16-4-2/h8-14H,3-7,15-16H2,1-2H3,(H2,22,23,24,25)
InChIKeyKGMOLCYKYDUXAH-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.11
Rot. Bonds11

About N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide

N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide (PubChem CID 71727897) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
PubChem CID71727897
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
SMILESCCCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
InChIInChI=1S/C21H29N3O2/c1-3-5-6-7-15-22-19-9-8-10-20(23-19)24-21(25)17-11-13-18(14-12-17)26-16-4-2/h8-14H,3-7,15-16H2,1-2H3,(H2,22,23,24,25)
InChIKeyKGMOLCYKYDUXAH-UHFFFAOYSA-N
XLogP5.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904
4-butoxy-N-hexadecylbenzamide
CID 4936106
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-butyl-4-propoxybenzamide
CID 17142951
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588
2-(pentylamino)-1-(4-propoxyphenyl)ethanone
CID 82101921
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290

Frequently Asked Questions

What is the IUPAC name of N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide?
The IUPAC name of N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide (CID 71727897) is N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide.
What is the SMILES notation for N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide?
The canonical SMILES for N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide is CCCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1.
What is the InChIKey of N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide?
The InChIKey is KGMOLCYKYDUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-5-6-7-15-22-19-9-8-10-20(23-19)24-21(25)17-11-13-18(14-12-17)26-16-4-2/h8-14H,3-7,15-16H2,1-2H3,(H2,22,23,24,25).
What are the key properties of N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide?
N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide is sourced from PubChem (CID 71727897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).