N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide

C16H26ClN3O — CID 62176971

IUPACN-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1nc(NCC)ccc1Cl)C(C)CC
InChIInChI=1S/C16H26ClN3O/c1-5-8-11-20(12(4)6-2)16(21)15-13(17)9-10-14(19-15)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyPPWONJBOVXDBLG-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.21
Rot. Bonds8

About N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide

N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 62176971) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
PubChem CID62176971
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1nc(NCC)ccc1Cl)C(C)CC
InChIInChI=1S/C16H26ClN3O/c1-5-8-11-20(12(4)6-2)16(21)15-13(17)9-10-14(19-15)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyPPWONJBOVXDBLG-UHFFFAOYSA-N
XLogP4.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(ethylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 62169311
N-butan-2-yl-N-butyl-6-(ethylamino)pyridine-2-carboxamide
CID 62234511
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79469760
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 103191078
3-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 62179595
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
CID 81074655
3-chloro-6-(ethylamino)-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 55047136
N-butan-2-yl-N-butyl-4-(ethylamino)pyridine-3-carboxamide
CID 81240030
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62179763
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide (CID 62176971) is N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide is CCCCN(C(=O)c1nc(NCC)ccc1Cl)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is PPWONJBOVXDBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-8-11-20(12(4)6-2)16(21)15-13(17)9-10-14(19-15)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide?
N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62176971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).