N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

C22H26N4O — CID 66723409

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C22H26N4O/c1-14-10-21(23)25-16(3)20(14)12-24-22(27)19-11-15(2)26(17(19)4)13-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3,(H2,23,25)(H,24,27)
InChIKeyVGRRUJVAMGPQKT-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.68
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 66723409) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID66723409
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C22H26N4O/c1-14-10-21(23)25-16(3)20(14)12-24-22(27)19-11-15(2)26(17(19)4)13-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3,(H2,23,25)(H,24,27)
InChIKeyVGRRUJVAMGPQKT-UHFFFAOYSA-N
XLogP3.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
N-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-4-cyanobenzamide
CID 10221335
6-amino-N-(3,3-diphenylpropyl)nicotinamide
CID 11976309
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 12
CID 135524115
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
Pyrrolo-pyrimidone, 13
CID 135524133
1-benzyl-N-(6-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24687433
N-cyclohexyl-1,9-dimethyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 852301
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 66723409) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is VGRRUJVAMGPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14-10-21(23)25-16(3)20(14)12-24-22(27)19-11-15(2)26(17(19)4)13-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3,(H2,23,25)(H,24,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 66723409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).