N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide

C16H21N3O2 — CID 111970527

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C16H21N3O2/c1-4-18(12-16(2,3)21)15(20)13-7-8-14(17-11-13)19-9-5-6-10-19/h5-11,21H,4,12H2,1-3H3
InChIKeyCOEMTMOGXLVGGA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.11
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide (PubChem CID 111970527) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
PubChem CID111970527
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C16H21N3O2/c1-4-18(12-16(2,3)21)15(20)13-7-8-14(17-11-13)19-9-5-6-10-19/h5-11,21H,4,12H2,1-3H3
InChIKeyCOEMTMOGXLVGGA-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 111596072
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 167942565
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952867
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103721379
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide
CID 75377807
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide (CID 111970527) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccc(-n2cccc2)nc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The InChIKey is COEMTMOGXLVGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-18(12-16(2,3)21)15(20)13-7-8-14(17-11-13)19-9-5-6-10-19/h5-11,21H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111970527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).