2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide

C19H28N8O3 — CID 144957701

IUPAC2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc(C)cn2)cn1.CCCC(C/C(N)=N/NN)C(=O)O
InChIInChI=1S/C12H12N4O.C7H16N4O2/c1-8-3-4-11(13-5-8)10-6-14-12(15-7-10)16-9(2)17;1-2-3-5(7(12)13)4-6(8)10-11-9/h3-7H,1-2H3,(H,14,15,16,17);5,11H,2-4,9H2,1H3,(H2,8,10)(H,12,13)
InChIKeyVBHXZTQWMRDDNH-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.42
Rot. Bonds8

About 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide

2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide (PubChem CID 144957701) has the molecular formula C19H28N8O3 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide
PubChem CID144957701
Molecular FormulaC19H28N8O3
Molecular Weight416.49 g/mol
Exact Mass416.23
IUPAC Name2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc(C)cn2)cn1.CCCC(C/C(N)=N/NN)C(=O)O
InChIInChI=1S/C12H12N4O.C7H16N4O2/c1-8-3-4-11(13-5-8)10-6-14-12(15-7-10)16-9(2)17;1-2-3-5(7(12)13)4-6(8)10-11-9/h3-7H,1-2H3,(H,14,15,16,17);5,11H,2-4,9H2,1H3,(H2,8,10)(H,12,13)
InChIKeyVBHXZTQWMRDDNH-UHFFFAOYSA-N
XLogP1.42
TPSA181.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;5-methylpyridin-2-amine
CID 144957795
2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;3-methylpyridine
CID 144957469
2-[2-[4-[4-[(4-methylphenyl)carbamoylamino]phenyl]phenyl]-2-oxoethyl]pentanoic acid
CID 143314043
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;5-methyl-2-piperidin-4-ylpyridine
CID 144957423
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
3-(5-methyl-2-pyridinyl)furan-2-carboxamide
CID 141068087
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
2-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]pentanoic acid;2-methylthiophene
CID 144957597
(2S)-2-propylbutanedioic acid
CID 12648185
4-[(3S)-3-carboxyhexanoyl]benzoic acid
CID 125465911
4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
CID 144957587

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide (CID 144957701) is 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccc(C)cn2)cn1.CCCC(C/C(N)=N/NN)C(=O)O.
What is the InChIKey of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide?
The InChIKey is VBHXZTQWMRDDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O.C7H16N4O2/c1-8-3-4-11(13-5-8)10-6-14-12(15-7-10)16-9(2)17;1-2-3-5(7(12)13)4-6(8)10-11-9/h3-7H,1-2H3,(H,14,15,16,17);5,11H,2-4,9H2,1H3,(H2,8,10)(H,12,13).
What are the key properties of 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide?
2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 1.42, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-amino-2-(aminohydrazinylidene)ethyl]pentanoic acid;N-[5-(5-methyl-2-pyridinyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 144957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).