tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate

C19H25N7O5 — CID 6736058

IUPACtert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C19H25N7O5/c1-19(2,3)31-18(30)24-14(7-13-9-21-11-23-13)17(29)26-25-15(27)10-22-16(28)12-5-4-6-20-8-12/h4-6,8-9,11,14H,7,10H2,1-3H3,(H,21,23)(H,22,28)(H,24,30)(H,25,27)(H,26,29)
InChIKeyHCHIPFBZYUSNFD-UHFFFAOYSA-N
MW431.45 g/mol
LogP-0.18
Rot. Bonds7

About tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate

tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate (PubChem CID 6736058) has the molecular formula C19H25N7O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate
PubChem CID6736058
Molecular FormulaC19H25N7O5
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC Nametert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C19H25N7O5/c1-19(2,3)31-18(30)24-14(7-13-9-21-11-23-13)17(29)26-25-15(27)10-22-16(28)12-5-4-6-20-8-12/h4-6,8-9,11,14H,7,10H2,1-3H3,(H,21,23)(H,22,28)(H,24,30)(H,25,27)(H,26,29)
InChIKeyHCHIPFBZYUSNFD-UHFFFAOYSA-N
XLogP-0.18
TPSA167.20 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-propanoylhydrazinyl)ethyl]amino]propan-2-yl]carbamate
CID 131712290
methyl 6-[2-[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]hydrazinyl]-6-oxohexanoate
CID 6711121
tert-butyl N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 18645442
(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
CID 30051636
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
tert-butyl N-[(2R)-1-(2-acetylhydrazinyl)-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
CID 59438753
tert-butyl N-[(2S)-3-(1H-imidazol-5-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
CID 156554407
(2S)-2-[[2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
CID 121483784
(2S)-3-(1H-imidazol-5-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]propanoic acid
CID 175125515
2-[[2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
CID 569657
(2R)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 175867528
2-[[3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoic acid
CID 78480744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate (CID 6736058) is tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1cnc[nH]1)C(=O)NNC(=O)CNC(=O)c1cccnc1.
What is the InChIKey of tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate?
The InChIKey is HCHIPFBZYUSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O5/c1-19(2,3)31-18(30)24-14(7-13-9-21-11-23-13)17(29)26-25-15(27)10-22-16(28)12-5-4-6-20-8-12/h4-6,8-9,11,14H,7,10H2,1-3H3,(H,21,23)(H,22,28)(H,24,30)(H,25,27)(H,26,29).
What are the key properties of tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate?
tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate has a molecular weight of 431.45 g/mol, XLogP of -0.18, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-imidazol-5-yl)-1-oxo-1-[2-[2-(pyridine-3-carbonylamino)acetyl]hydrazinyl]propan-2-yl]carbamate is sourced from PubChem (CID 6736058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).