2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride

C19H25ClN6O2 — CID 70090043

IUPAC2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride
SMILESCC(NCc1ccc(C=NN)cc1)C(=O)NCC(=O)NCc1cccnc1.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-14(22-10-15-4-6-16(7-5-15)12-25-20)19(27)24-13-18(26)23-11-17-3-2-8-21-9-17;/h2-9,12,14,22H,10-11,13,20H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyFVMMKPHBVPUYCC-UHFFFAOYSA-N
MW404.90 g/mol
LogP0.71
Rot. Bonds9

About 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride

2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride (PubChem CID 70090043) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride
PubChem CID70090043
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride
SMILESCC(NCc1ccc(C=NN)cc1)C(=O)NCC(=O)NCc1cccnc1.Cl
InChIInChI=1S/C19H24N6O2.ClH/c1-14(22-10-15-4-6-16(7-5-15)12-25-20)19(27)24-13-18(26)23-11-17-3-2-8-21-9-17;/h2-9,12,14,22H,10-11,13,20H2,1H3,(H,23,26)(H,24,27);1H
InChIKeyFVMMKPHBVPUYCC-UHFFFAOYSA-N
XLogP0.71
TPSA121.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(4-methanehydrazonoylphenyl)methylamino]-2-oxo-2-[[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]ethyl]benzoic acid
CID 70089951
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952
1-[(E)-3-methylbut-1-enyl]-3-(pyridin-3-ylmethyl)urea
CID 108910928
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
CID 51097080
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride (CID 70090043) is 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride is CC(NCc1ccc(C=NN)cc1)C(=O)NCC(=O)NCc1cccnc1.Cl.
What is the InChIKey of 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is FVMMKPHBVPUYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.ClH/c1-14(22-10-15-4-6-16(7-5-15)12-25-20)19(27)24-13-18(26)23-11-17-3-2-8-21-9-17;/h2-9,12,14,22H,10-11,13,20H2,1H3,(H,23,26)(H,24,27);1H.
What are the key properties of 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride?
2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methanehydrazonoylphenyl)methylamino]-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 70090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).