(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

C15H14N4O2 — CID 62895487

IUPAC(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESN#Cc1ncccc1COC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H14N4O2/c16-7-13-10(2-1-5-18-13)9-21-15(20)14-6-11(17)8-19(14)12-3-4-12/h1-2,5-6,8,12H,3-4,9,17H2
InChIKeySEOSTBHCHLIEGU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.03
Rot. Bonds4

About (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate

(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (PubChem CID 62895487) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
PubChem CID62895487
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
SMILESN#Cc1ncccc1COC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C15H14N4O2/c16-7-13-10(2-1-5-18-13)9-21-15(20)14-6-11(17)8-19(14)12-3-4-12/h1-2,5-6,8,12H,3-4,9,17H2
InChIKeySEOSTBHCHLIEGU-UHFFFAOYSA-N
XLogP2.03
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The IUPAC name of (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate (CID 62895487) is (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate.
What is the SMILES notation for (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The canonical SMILES for (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is N#Cc1ncccc1COC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
The InChIKey is SEOSTBHCHLIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-7-13-10(2-1-5-18-13)9-21-15(20)14-6-11(17)8-19(14)12-3-4-12/h1-2,5-6,8,12H,3-4,9,17H2.
What are the key properties of (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate?
(2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-3-pyridinyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate is sourced from PubChem (CID 62895487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).