N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide

C19H34BrN2O+ — CID 126959756

IUPACN-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide
SMILESBr.CCCCCCCCCCCCNC(=O)c1cc[n+](C)cc1
InChIInChI=1S/C19H32N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-20-19(22)18-13-16-21(2)17-14-18;/h13-14,16-17H,3-12,15H2,1-2H3;1H/p+1
InChIKeyMFWYRIVNXCCEKB-UHFFFAOYSA-O
MW386.40 g/mol
LogP4.74
Rot. Bonds12

About N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide

N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide (PubChem CID 126959756) has the molecular formula C19H34BrN2O+ and a molecular weight of 386.40 g/mol. Its IUPAC name is N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide.

Molecular Properties

Compound NameN-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide
PubChem CID126959756
Molecular FormulaC19H34BrN2O+
Molecular Weight386.40 g/mol
Exact Mass385.18
IUPAC NameN-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide
SMILESBr.CCCCCCCCCCCCNC(=O)c1cc[n+](C)cc1
InChIInChI=1S/C19H32N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-20-19(22)18-13-16-21(2)17-14-18;/h13-14,16-17H,3-12,15H2,1-2H3;1H/p+1
InChIKeyMFWYRIVNXCCEKB-UHFFFAOYSA-O
XLogP4.74
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-N-[6-[(1-hexylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide
CID 11467950
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-bromo-N-pentylbenzamide
CID 4167913

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide?
The IUPAC name of N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide (CID 126959756) is N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide.
What is the SMILES notation for N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide?
The canonical SMILES for N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide is Br.CCCCCCCCCCCCNC(=O)c1cc[n+](C)cc1.
What is the InChIKey of N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide?
The InChIKey is MFWYRIVNXCCEKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-15-20-19(22)18-13-16-21(2)17-14-18;/h13-14,16-17H,3-12,15H2,1-2H3;1H/p+1.
What are the key properties of N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide?
N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide has a molecular weight of 386.40 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1-methylpyridin-1-ium-4-carboxamide;hydrobromide is sourced from PubChem (CID 126959756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).