2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide

C27H45Cl2N7O4 — CID 102508949

IUPAC2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)NCCCC(CCl)NC(=O)c1cccc(C(=O)NC(CCl)CCCNC(=O)NCCCC)n1
InChIInChI=1S/C27H45Cl2N7O4/c1-3-5-14-30-26(39)32-16-8-10-20(18-28)34-24(37)22-12-7-13-23(36-22)25(38)35-21(19-29)11-9-17-33-27(40)31-15-6-4-2/h7,12-13,20-21H,3-6,8-11,14-19H2,1-2H3,(H,34,37)(H,35,38)(H2,30,32,39)(H2,31,33,40)
InChIKeyQCNLFUAIXNNUGC-UHFFFAOYSA-N
MW602.61 g/mol
LogP3.52
Rot. Bonds20

About 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide (PubChem CID 102508949) has the molecular formula C27H45Cl2N7O4 and a molecular weight of 602.61 g/mol. Its IUPAC name is 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide
PubChem CID102508949
Molecular FormulaC27H45Cl2N7O4
Molecular Weight602.61 g/mol
Exact Mass601.29
IUPAC Name2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)NCCCC(CCl)NC(=O)c1cccc(C(=O)NC(CCl)CCCNC(=O)NCCCC)n1
InChIInChI=1S/C27H45Cl2N7O4/c1-3-5-14-30-26(39)32-16-8-10-20(18-28)34-24(37)22-12-7-13-23(36-22)25(38)35-21(19-29)11-9-17-33-27(40)31-15-6-4-2/h7,12-13,20-21H,3-6,8-11,14-19H2,1-2H3,(H,34,37)(H,35,38)(H2,30,32,39)(H2,31,33,40)
InChIKeyQCNLFUAIXNNUGC-UHFFFAOYSA-N
XLogP3.52
TPSA153.35 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.61
LogP ≤ 53.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-(1-chlorobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 114294381
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
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-bis(2-ethylhexyl)pyridine-2,6-dicarboxamide
CID 5210058
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
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide (CID 102508949) is 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide is CCCCNC(=O)NCCCC(CCl)NC(=O)c1cccc(C(=O)NC(CCl)CCCNC(=O)NCCCC)n1.
What is the InChIKey of 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide?
The InChIKey is QCNLFUAIXNNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45Cl2N7O4/c1-3-5-14-30-26(39)32-16-8-10-20(18-28)34-24(37)22-12-7-13-23(36-22)25(38)35-21(19-29)11-9-17-33-27(40)31-15-6-4-2/h7,12-13,20-21H,3-6,8-11,14-19H2,1-2H3,(H,34,37)(H,35,38)(H2,30,32,39)(H2,31,33,40).
What are the key properties of 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide has a molecular weight of 602.61 g/mol, XLogP of 3.52, 20 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[5-(butylcarbamoylamino)-1-chloropentan-2-yl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 102508949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).