4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide

C17H23N3O — CID 43643888

IUPAC4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H23N3O/c1-4-9-20-12-15(18)10-16(20)17(21)19(3)11-14-8-6-5-7-13(14)2/h5-8,10,12H,4,9,11,18H2,1-3H3
InChIKeyCBFQNAWYVUAKQV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds5

About 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide

4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 43643888) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID43643888
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1C
InChIInChI=1S/C17H23N3O/c1-4-9-20-12-15(18)10-16(20)17(21)19(3)11-14-8-6-5-7-13(14)2/h5-8,10,12H,4,9,11,18H2,1-3H3
InChIKeyCBFQNAWYVUAKQV-UHFFFAOYSA-N
XLogP3.06
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61113889
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417
4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
CID 43643059
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
4-amino-N-methyl-1-propyl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 106934249
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 43643888) is 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1C.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is CBFQNAWYVUAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-20-12-15(18)10-16(20)17(21)19(3)11-14-8-6-5-7-13(14)2/h5-8,10,12H,4,9,11,18H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43643888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).