2-amino-5-(3-pyridin-4-ylpropoxy)benzamide

C15H17N3O2 — CID 61306005

IUPAC2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
SMILESNC(=O)c1cc(OCCCc2ccncc2)ccc1N
InChIInChI=1S/C15H17N3O2/c16-14-4-3-12(10-13(14)15(17)19)20-9-1-2-11-5-7-18-8-6-11/h3-8,10H,1-2,9,16H2,(H2,17,19)
InChIKeyGTCMJRUWIOOKRS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide

2-amino-5-(3-pyridin-4-ylpropoxy)benzamide (PubChem CID 61306005) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
PubChem CID61306005
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
SMILESNC(=O)c1cc(OCCCc2ccncc2)ccc1N
InChIInChI=1S/C15H17N3O2/c16-14-4-3-12(10-13(14)15(17)19)20-9-1-2-11-5-7-18-8-6-11/h3-8,10H,1-2,9,16H2,(H2,17,19)
InChIKeyGTCMJRUWIOOKRS-UHFFFAOYSA-N
XLogP1.77
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-5-(3-pyridin-4-ylpropoxy)benzamide
CID 146333511
2-amino-5-(3-hydroxypropoxy)benzamide
CID 61307251
5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
CID 114408728
2-amino-4-(3-pyridin-4-ylpropoxy)benzenesulfonamide
CID 79467347
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide?
The IUPAC name of 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide (CID 61306005) is 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide.
What is the SMILES notation for 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide?
The canonical SMILES for 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide is NC(=O)c1cc(OCCCc2ccncc2)ccc1N.
What is the InChIKey of 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide?
The InChIKey is GTCMJRUWIOOKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-14-4-3-12(10-13(14)15(17)19)20-9-1-2-11-5-7-18-8-6-11/h3-8,10H,1-2,9,16H2,(H2,17,19).
What are the key properties of 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide?
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-pyridin-4-ylpropoxy)benzamide is sourced from PubChem (CID 61306005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).