N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

C34H52N6O4 — CID 67400463

IUPACN-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCCCCCCCCCCN(NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC
InChIInChI=1S/C34H52N6O4/c1-6-9-10-11-12-13-14-15-24-40(34(44)30(26(5)8-3)38-32(42)28-18-22-36-23-19-28)39-33(43)29(25(4)7-2)37-31(41)27-16-20-35-21-17-27/h16-23,25-26,29-30H,6-15,24H2,1-5H3,(H,37,41)(H,38,42)(H,39,43)/t25?,26?,29-,30-/m0/s1
InChIKeyQOOZWXLKOBIAMS-FWYJNYDBSA-N
MW608.83 g/mol
LogP5.47
Rot. Bonds19

About N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 67400463) has the molecular formula C34H52N6O4 and a molecular weight of 608.83 g/mol. Its IUPAC name is N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
PubChem CID67400463
Molecular FormulaC34H52N6O4
Molecular Weight608.83 g/mol
Exact Mass608.41
IUPAC NameN-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCCCCCCCCCCN(NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC
InChIInChI=1S/C34H52N6O4/c1-6-9-10-11-12-13-14-15-24-40(34(44)30(26(5)8-3)38-32(42)28-18-22-36-23-19-28)39-33(43)29(25(4)7-2)37-31(41)27-16-20-35-21-17-27/h16-23,25-26,29-30H,6-15,24H2,1-5H3,(H,37,41)(H,38,42)(H,39,43)/t25?,26?,29-,30-/m0/s1
InChIKeyQOOZWXLKOBIAMS-FWYJNYDBSA-N
XLogP5.47
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[2-dodecyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 90229721
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-[ethyl(pyridin-4-yl)amino]benzamide
CID 91376212
N-[(2S,3S)-1-[[(3S)-1-hydroxy-2-oxo-5-phenylpentan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 23551275
N-hexylpyridine-4-carboxamide
CID 3423732
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
N-pentylpyridine-4-carboxamide
CID 2307296
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 67400463) is N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CCCCCCCCCCN(NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC)C(=O)[C@@H](NC(=O)c1ccncc1)C(C)CC.
What is the InChIKey of N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The InChIKey is QOOZWXLKOBIAMS-FWYJNYDBSA-N. The full InChI is InChI=1S/C34H52N6O4/c1-6-9-10-11-12-13-14-15-24-40(34(44)30(26(5)8-3)38-32(42)28-18-22-36-23-19-28)39-33(43)29(25(4)7-2)37-31(41)27-16-20-35-21-17-27/h16-23,25-26,29-30H,6-15,24H2,1-5H3,(H,37,41)(H,38,42)(H,39,43)/t25?,26?,29-,30-/m0/s1.
What are the key properties of N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 608.83 g/mol, XLogP of 5.47, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-decyl-2-[(2S)-3-methyl-2-(pyridine-4-carbonylamino)pentanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67400463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).