N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

C22H26N4O — CID 71840999

IUPACN-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCCN(C)C
InChIInChI=1S/C22H26N4O/c1-17-6-4-5-7-19(17)15-26-16-20(18-8-10-23-11-9-18)14-21(26)22(27)24-12-13-25(2)3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyRMQVJXWVFIWSCQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 71840999) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID71840999
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCCN(C)C
InChIInChI=1S/C22H26N4O/c1-17-6-4-5-7-19(17)15-26-16-20(18-8-10-23-11-9-18)14-21(26)22(27)24-12-13-25(2)3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyRMQVJXWVFIWSCQ-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (CID 71840999) is N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is RMQVJXWVFIWSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-6-4-5-7-19(17)15-26-16-20(18-8-10-23-11-9-18)14-21(26)22(27)24-12-13-25(2)3/h4-11,14,16H,12-13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[(2-methylphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 71840999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).