N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide

C16H27N3O2 — CID 106290832

IUPACN,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
SMILESCCCC(C)(O)CNc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H27N3O2/c1-5-9-16(4,21)12-18-13-8-10-17-14(11-13)15(20)19(6-2)7-3/h8,10-11,21H,5-7,9,12H2,1-4H3,(H,17,18)
InChIKeyCIWGEGIBJKRGFF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.53
Rot. Bonds8

About N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide

N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide (PubChem CID 106290832) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
PubChem CID106290832
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
SMILESCCCC(C)(O)CNc1ccnc(C(=O)N(CC)CC)c1
InChIInChI=1S/C16H27N3O2/c1-5-9-16(4,21)12-18-13-8-10-17-14(11-13)15(20)19(6-2)7-3/h8,10-11,21H,5-7,9,12H2,1-4H3,(H,17,18)
InChIKeyCIWGEGIBJKRGFF-UHFFFAOYSA-N
XLogP2.53
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 114694391
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide (CID 106290832) is N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide is CCCC(C)(O)CNc1ccnc(C(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide?
The InChIKey is CIWGEGIBJKRGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-9-16(4,21)12-18-13-8-10-17-14(11-13)15(20)19(6-2)7-3/h8,10-11,21H,5-7,9,12H2,1-4H3,(H,17,18).
What are the key properties of N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide?
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 106290832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).