6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide

C26H39N5O2 — CID 143014726

IUPAC6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide
SMILESCNc1ccc(CCCCCCCCCCC(=O)NCCNC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C26H39N5O2/c1-28-23-15-12-21(13-16-23)10-8-6-4-2-3-5-7-9-11-25(32)29-18-19-30-26(33)22-14-17-24(27)31-20-22/h12-17,20,28H,2-11,18-19H2,1H3,(H2,27,31)(H,29,32)(H,30,33)
InChIKeyCAXQISVJAIIDJI-UHFFFAOYSA-N
MW453.63 g/mol
LogP4.31
Rot. Bonds16

About 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide

6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 143014726) has the molecular formula C26H39N5O2 and a molecular weight of 453.63 g/mol. Its IUPAC name is 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide
PubChem CID143014726
Molecular FormulaC26H39N5O2
Molecular Weight453.63 g/mol
Exact Mass453.31
IUPAC Name6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide
SMILESCNc1ccc(CCCCCCCCCCC(=O)NCCNC(=O)c2ccc(N)nc2)cc1
InChIInChI=1S/C26H39N5O2/c1-28-23-15-12-21(13-16-23)10-8-6-4-2-3-5-7-9-11-25(32)29-18-19-30-26(33)22-14-17-24(27)31-20-22/h12-17,20,28H,2-11,18-19H2,1H3,(H2,27,31)(H,29,32)(H,30,33)
InChIKeyCAXQISVJAIIDJI-UHFFFAOYSA-N
XLogP4.31
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[3-(ethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113411051
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674391
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
CID 119500842
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
CID 71213941
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 115161110

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide (CID 143014726) is 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide is CNc1ccc(CCCCCCCCCCC(=O)NCCNC(=O)c2ccc(N)nc2)cc1.
What is the InChIKey of 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is CAXQISVJAIIDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O2/c1-28-23-15-12-21(13-16-23)10-8-6-4-2-3-5-7-9-11-25(32)29-18-19-30-26(33)22-14-17-24(27)31-20-22/h12-17,20,28H,2-11,18-19H2,1H3,(H2,27,31)(H,29,32)(H,30,33).
What are the key properties of 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide?
6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 4.31, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 143014726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).