ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen

C15H27N3O — CID 144515256

IUPACethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen
SMILESC=C.CCCCCCCNC(=O)c1cnc(C)nc1.[H][H]
InChIInChI=1S/C13H21N3O.C2H4.H2/c1-3-4-5-6-7-8-14-13(17)12-9-15-11(2)16-10-12;1-2;/h9-10H,3-8H2,1-2H3,(H,14,17);1-2H2;1H
InChIKeyBJYWPOTXRFNADL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.53
Rot. Bonds7

About ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen

ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 144515256) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen
PubChem CID144515256
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Nameethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen
SMILESC=C.CCCCCCCNC(=O)c1cnc(C)nc1.[H][H]
InChIInChI=1S/C13H21N3O.C2H4.H2/c1-3-4-5-6-7-8-14-13(17)12-9-15-11(2)16-10-12;1-2;/h9-10H,3-8H2,1-2H3,(H,14,17);1-2H2;1H
InChIKeyBJYWPOTXRFNADL-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109263658
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-hexylpyridine-4-carboxamide
CID 3423732
N-decyl-4-ethoxybenzamide
CID 4123784
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-octadecylpyridine-3-carboxamide
CID 3547337
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
N-decyl-4-hydroxybenzamide
CID 15277871
N-pentylpyridine-4-carboxamide
CID 2307296
CID 131885807
CID 131885807
N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide
CID 126959756

Frequently Asked Questions

What is the IUPAC name of ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen (CID 144515256) is ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen is C=C.CCCCCCCNC(=O)c1cnc(C)nc1.[H][H].
What is the InChIKey of ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is BJYWPOTXRFNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C2H4.H2/c1-3-4-5-6-7-8-14-13(17)12-9-15-11(2)16-10-12;1-2;/h9-10H,3-8H2,1-2H3,(H,14,17);1-2H2;1H.
What are the key properties of ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen?
ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 265.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 144515256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).