N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide

C14H17N3O — CID 66408086

IUPACN,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c1-17(2)14(18)12-5-3-4-6-13(12)16-10-11-7-8-15-9-11/h3-9,15-16H,10H2,1-2H3
InChIKeyDPYXIXJTWGABBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.33
Rot. Bonds4

About N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide

N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide (PubChem CID 66408086) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
PubChem CID66408086
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide
SMILESCN(C)C(=O)c1ccccc1NCc1cc[nH]c1
InChIInChI=1S/C14H17N3O/c1-17(2)14(18)12-5-3-4-6-13(12)16-10-11-7-8-15-9-11/h3-9,15-16H,10H2,1-2H3
InChIKeyDPYXIXJTWGABBS-UHFFFAOYSA-N
XLogP2.33
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
2-[(2-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43432309
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
N,N-dimethyl-2-(prop-2-ynylamino)benzamide
CID 63953084
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide?
The IUPAC name of N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide (CID 66408086) is N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide?
The canonical SMILES for N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide is CN(C)C(=O)c1ccccc1NCc1cc[nH]c1.
What is the InChIKey of N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide?
The InChIKey is DPYXIXJTWGABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)14(18)12-5-3-4-6-13(12)16-10-11-7-8-15-9-11/h3-9,15-16H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide?
N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1H-pyrrol-3-ylmethylamino)benzamide is sourced from PubChem (CID 66408086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).