N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide

C19H23N3O — CID 70028060

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)n1C
InChIInChI=1S/C19H23N3O/c1-12-5-3-4-6-14(12)17-9-10-18(22(17)2)19(23)21-16-11-13-7-8-15(16)20-13/h3-6,9-10,13,15-16,20H,7-8,11H2,1-2H3,(H,21,23)/t13-,15+,16-/m1/s1
InChIKeyBINSPFYIWJMQEM-VNQPRFMTSA-N
MW309.41 g/mol
LogP2.62
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide (PubChem CID 70028060) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide
PubChem CID70028060
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)n1C
InChIInChI=1S/C19H23N3O/c1-12-5-3-4-6-14(12)17-9-10-18(22(17)2)19(23)21-16-11-13-7-8-15(16)20-13/h3-6,9-10,13,15-16,20H,7-8,11H2,1-2H3,(H,21,23)/t13-,15+,16-/m1/s1
InChIKeyBINSPFYIWJMQEM-VNQPRFMTSA-N
XLogP2.62
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-cyanophenyl)-1-methylpyrrole-2-carboxamide
CID 70027448
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 70026352
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-fluoro-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 20585485
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(2-methylphenyl)pyrazole-1-carboxamide
CID 91040334
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 70026440
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(methylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 70028530
7-azabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 146382277
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 159732987
N-(7-azabicyclo[2.2.1]heptan-2-yl)furan-2-carboxamide
CID 155850992
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 70026101

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide (CID 70028060) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide is Cc1ccccc1-c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)n1C.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is BINSPFYIWJMQEM-VNQPRFMTSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12-5-3-4-6-14(12)17-9-10-18(22(17)2)19(23)21-16-11-13-7-8-15(16)20-13/h3-6,9-10,13,15-16,20H,7-8,11H2,1-2H3,(H,21,23)/t13-,15+,16-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-methyl-5-(2-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 70028060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).