1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide

C14H17N3O — CID 110699059

IUPAC1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-9-7-11(10-17)13(18)16-12-6-4-5-8-15-12/h4-10H,1-3H3,(H,15,16,18)
InChIKeyYNVYPGNNGLATKN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.89
Rot. Bonds2

About 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide

1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 110699059) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID110699059
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-9-7-11(10-17)13(18)16-12-6-4-5-8-15-12/h4-10H,1-3H3,(H,15,16,18)
InChIKeyYNVYPGNNGLATKN-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide
CID 118064843
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
4-arsoroso-N-pyridin-2-ylbenzamide
CID 3027019
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
6-tert-butyl-1-methyl-2-oxo-N-pyridin-2-ylpyridine-3-carboxamide
CID 166717694
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
N-pyridin-2-yl-4-(trifluoromethylsulfanyl)benzamide
CID 17392220

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide (CID 110699059) is 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide is CC(C)(C)n1ccc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is YNVYPGNNGLATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)17-9-7-11(10-17)13(18)16-12-6-4-5-8-15-12/h4-10H,1-3H3,(H,15,16,18).
What are the key properties of 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide?
1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).