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

C20H22N4O — CID 56836928

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O/c1-14-10-19(21)23-15(2)18(14)11-22-20(25)17-8-9-24(13-17)12-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyJYWSLTHIABTUOB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide (PubChem CID 56836928) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
PubChem CID56836928
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccccc2)c1
InChIInChI=1S/C20H22N4O/c1-14-10-19(21)23-15(2)18(14)11-22-20(25)17-8-9-24(13-17)12-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H2,21,23)(H,22,25)
InChIKeyJYWSLTHIABTUOB-UHFFFAOYSA-N
XLogP3.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 56836486
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(2-oxo-1-pyridinyl)methyl]-6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-8-carboxamide
CID 156524154
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
CID 58081313
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
CID 58081339
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-anilino-2-formamidophenyl)methyl]-5-methylpyrrole-3-carboxamide
CID 156523967
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-12-[(4-chloropyrazol-1-yl)methyl]-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9(14),10,12-hexaene-4-carboxamide
CID 140757731

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide (CID 56836928) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccccc2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide?
The InChIKey is JYWSLTHIABTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-10-19(21)23-15(2)18(14)11-22-20(25)17-8-9-24(13-17)12-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H2,21,23)(H,22,25).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.06, 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-benzylpyrrole-3-carboxamide is sourced from PubChem (CID 56836928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).