1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide

C16H13N3O2 — CID 118064843

IUPAC1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccn(Oc2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c20-16(18-15-8-4-5-10-17-15)13-9-11-19(12-13)21-14-6-2-1-3-7-14/h1-12H,(H,17,18,20)
InChIKeyALRVWYYYMBPALY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.98
Rot. Bonds4

About 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide

1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 118064843) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID118064843
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1ccn(Oc2ccccc2)c1
InChIInChI=1S/C16H13N3O2/c20-16(18-15-8-4-5-10-17-15)13-9-11-19(12-13)21-14-6-2-1-3-7-14/h1-12H,(H,17,18,20)
InChIKeyALRVWYYYMBPALY-UHFFFAOYSA-N
XLogP2.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide
CID 110699059
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
4-arsoroso-N-pyridin-2-ylbenzamide
CID 3027019
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
N-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 91447099
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
4-ethynyl-N-pyridin-2-ylbenzamide
CID 135042338
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
nonanedioic acid;N-pyridin-2-ylpyridine-3-carboxamide
CID 139146011
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide (CID 118064843) is 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide is O=C(Nc1ccccn1)c1ccn(Oc2ccccc2)c1.
What is the InChIKey of 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is ALRVWYYYMBPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(18-15-8-4-5-10-17-15)13-9-11-19(12-13)21-14-6-2-1-3-7-14/h1-12H,(H,17,18,20).
What are the key properties of 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide?
1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 118064843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).