2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide

C34H50N10O8 — CID 139129379

IUPAC2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1.CCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1
InChIInChI=1S/2C17H25N5O4/c2*1-3-5-10-18-16(25)21-14(23)12-8-7-9-13(20-12)15(24)22-17(26)19-11-6-4-2/h2*7-9H,3-6,10-11H2,1-2H3,(H2,18,21,23,25)(H2,19,22,24,26)
InChIKeyHQRHVEMBJINDRL-UHFFFAOYSA-N
MW726.84 g/mol
LogP3.12
Rot. Bonds16

About 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide (PubChem CID 139129379) has the molecular formula C34H50N10O8 and a molecular weight of 726.84 g/mol. Its IUPAC name is 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
PubChem CID139129379
Molecular FormulaC34H50N10O8
Molecular Weight726.84 g/mol
Exact Mass726.38
IUPAC Name2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1.CCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1
InChIInChI=1S/2C17H25N5O4/c2*1-3-5-10-18-16(25)21-14(23)12-8-7-9-13(20-12)15(24)22-17(26)19-11-6-4-2/h2*7-9H,3-6,10-11H2,1-2H3,(H2,18,21,23,25)(H2,19,22,24,26)
InChIKeyHQRHVEMBJINDRL-UHFFFAOYSA-N
XLogP3.12
TPSA258.58 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 53.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis(2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide);bis(iron(2+));bis(iron(3+));oxolane;decachloride
CID 139154608
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide
CID 102508949
N-(butylcarbamoyl)-2-hydroxybenzamide
CID 142955512
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide (CID 139129379) is 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1.CCCCNC(=O)NC(=O)c1cccc(C(=O)NC(=O)NCCCC)n1.
What is the InChIKey of 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide?
The InChIKey is HQRHVEMBJINDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H25N5O4/c2*1-3-5-10-18-16(25)21-14(23)12-8-7-9-13(20-12)15(24)22-17(26)19-11-6-4-2/h2*7-9H,3-6,10-11H2,1-2H3,(H2,18,21,23,25)(H2,19,22,24,26).
What are the key properties of 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide has a molecular weight of 726.84 g/mol, XLogP of 3.12, 16 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 139129379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).