4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide

C20H27N5O2 — CID 10270453

IUPAC4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
SMILESCCCCc1ccnc(C(=O)NCCNCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C20H27N5O2/c1-2-3-5-16-7-9-23-18(14-16)20(27)25-13-11-21-10-12-24-19(26)17-6-4-8-22-15-17/h4,6-9,14-15,21H,2-3,5,10-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyQYKCQQFUSGILDT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.57
Rot. Bonds11

About 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide

4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide (PubChem CID 10270453) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
PubChem CID10270453
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
SMILESCCCCc1ccnc(C(=O)NCCNCCNC(=O)c2cccnc2)c1
InChIInChI=1S/C20H27N5O2/c1-2-3-5-16-7-9-23-18(14-16)20(27)25-13-11-21-10-12-24-19(26)17-6-4-8-22-15-17/h4,6-9,14-15,21H,2-3,5,10-13H2,1H3,(H,24,26)(H,25,27)
InChIKeyQYKCQQFUSGILDT-UHFFFAOYSA-N
XLogP1.57
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
N-[2-[(4-methylphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 3338118
2-(methylamino)-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-4-carboxamide
CID 74240609
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
CID 172619074

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide (CID 10270453) is 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide is CCCCc1ccnc(C(=O)NCCNCCNC(=O)c2cccnc2)c1.
What is the InChIKey of 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide?
The InChIKey is QYKCQQFUSGILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-3-5-16-7-9-23-18(14-16)20(27)25-13-11-21-10-12-24-19(26)17-6-4-8-22-15-17/h4,6-9,14-15,21H,2-3,5,10-13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide?
4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 10270453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).