N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide

C17H21N5O2 — CID 174614389

IUPACN-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CCc2ccc(C(=O)NN)cc2CN)cn1
InChIInChI=1S/C17H21N5O2/c1-11(23)21-16-7-3-12(10-20-16)2-4-13-5-6-14(17(24)22-19)8-15(13)9-18/h3,5-8,10H,2,4,9,18-19H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyXFZQUVLIXILBRA-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.89
Rot. Bonds6

About N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide

N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide (PubChem CID 174614389) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide
PubChem CID174614389
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CCc2ccc(C(=O)NN)cc2CN)cn1
InChIInChI=1S/C17H21N5O2/c1-11(23)21-16-7-3-12(10-20-16)2-4-13-5-6-14(17(24)22-19)8-15(13)9-18/h3,5-8,10H,2,4,9,18-19H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyXFZQUVLIXILBRA-UHFFFAOYSA-N
XLogP0.89
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
N-[5-(oxiran-2-ylmethyl)-2-pyridinyl]acetamide
CID 19385019
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
3-acetamido-N-[5-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343720
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450
[5-(2-bromoethyl)-2-pyridinyl]carbamic acid
CID 174508330
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;methane
CID 161034320
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431
N-[5-(aminomethyl)-2-pyridinyl]-5-ethylfuran-2-carboxamide
CID 79095429
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide (CID 174614389) is N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(CCc2ccc(C(=O)NN)cc2CN)cn1.
What is the InChIKey of N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is XFZQUVLIXILBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(23)21-16-7-3-12(10-20-16)2-4-13-5-6-14(17(24)22-19)8-15(13)9-18/h3,5-8,10H,2,4,9,18-19H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide?
N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(aminomethyl)-4-(hydrazinecarbonyl)phenyl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 174614389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).