(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-amino-4-cyano-1-phenyl-1H-pyrrole-2-carboxylate
CID 667745
2-Phenylethyl 4-[[4-(methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 44249788
ethyl 3-amino-1-benzyl-1H-pyrrole-2-carboxylate hydrochloride
CID 177799386
Ethyl 2-amino-1-cyanoindolizine-3-carboxylate
CID 556109
Ethyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 11182847
Ethyl 1-(methoxymethyl)-4-[(2-methyl-11-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-10-yl)amino]pyrrole-2-carboxylate
CID 10407527
Methyl 1-[1-(4-cyano-1-methylpyrrole-2-carbonyl)piperidin-4-yl]pyrrole-2-carboxylate
CID 72102632
Methyl 1-methyl-4-[(pyridin-3-ylamino)methyl]pyrrole-2-carboxylate
CID 132378920
Ethyl 4-[(2,4-difluorobenzoyl)amino]-1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 71169225
ethyl 3-cyano-1-[(3R)-5,5-difluoropiperidin-3-yl]pyrrole-2-carboxylate
CID 118651810
ethyl 1-[(3R)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-cyanopyrrole-2-carboxylate
CID 129178323
Methyl 4-cyano-1-[(2-fluoro-4-pyridinyl)methyl]pyrrole-2-carboxylate
CID 169774850

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).