N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide

C32H48N6O4 — CID 123825309

IUPACN-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide
SMILESCC(NCCCCCCCCCCCCCCNC(C)C(=O)NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C32H48N6O4/c1-25(29(39)37-31(41)27-15-21-33-22-16-27)35-19-13-11-9-7-5-3-4-6-8-10-12-14-20-36-26(2)30(40)38-32(42)28-17-23-34-24-18-28/h15-18,21-26,35-36H,3-14,19-20H2,1-2H3,(H,37,39,41)(H,38,40,42)
InChIKeyQMGNOJXTBFTLPU-UHFFFAOYSA-N
MW580.77 g/mol
LogP4.33
Rot. Bonds21

About N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide

N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide (PubChem CID 123825309) has the molecular formula C32H48N6O4 and a molecular weight of 580.77 g/mol. Its IUPAC name is N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide
PubChem CID123825309
Molecular FormulaC32H48N6O4
Molecular Weight580.77 g/mol
Exact Mass580.37
IUPAC NameN-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide
SMILESCC(NCCCCCCCCCCCCCCNC(C)C(=O)NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C32H48N6O4/c1-25(29(39)37-31(41)27-15-21-33-22-16-27)35-19-13-11-9-7-5-3-4-6-8-10-12-14-20-36-26(2)30(40)38-32(42)28-17-23-34-24-18-28/h15-18,21-26,35-36H,3-14,19-20H2,1-2H3,(H,37,39,41)(H,38,40,42)
InChIKeyQMGNOJXTBFTLPU-UHFFFAOYSA-N
XLogP4.33
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.77
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-methyl-2-[12-[[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]amino]dodecylamino]butanoyl]pyridine-4-carboxamide
CID 123670207
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
N-hexylpyridine-4-carboxamide
CID 3423732
N-pentylpyridine-4-carboxamide
CID 2307296
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N'-undecylpyridine-4-carbohydrazide
CID 27387
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 122212313
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
N-butylpyridine-4-carboxamide
CID 5030535
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112
1-heptyl-3-(pyridine-4-carbonylamino)urea
CID 86577414

Frequently Asked Questions

What is the IUPAC name of N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide (CID 123825309) is N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide is CC(NCCCCCCCCCCCCCCNC(C)C(=O)NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1.
What is the InChIKey of N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide?
The InChIKey is QMGNOJXTBFTLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O4/c1-25(29(39)37-31(41)27-15-21-33-22-16-27)35-19-13-11-9-7-5-3-4-6-8-10-12-14-20-36-26(2)30(40)38-32(42)28-17-23-34-24-18-28/h15-18,21-26,35-36H,3-14,19-20H2,1-2H3,(H,37,39,41)(H,38,40,42).
What are the key properties of N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide?
N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide has a molecular weight of 580.77 g/mol, XLogP of 4.33, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide is sourced from PubChem (CID 123825309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).