N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

C16H21N3O — CID 66412863

IUPACN-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cccc(C(=O)NC)c1
InChIInChI=1S/C16H21N3O/c1-3-9-19-10-5-8-15(19)12-18-14-7-4-6-13(11-14)16(20)17-2/h4-8,10-11,18H,3,9,12H2,1-2H3,(H,17,20)
InChIKeyUOQNVDVRHCIORH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds6

About N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (PubChem CID 66412863) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
PubChem CID66412863
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cccc(C(=O)NC)c1
InChIInChI=1S/C16H21N3O/c1-3-9-19-10-5-8-15(19)12-18-14-7-4-6-13(11-14)16(20)17-2/h4-8,10-11,18H,3,9,12H2,1-2H3,(H,17,20)
InChIKeyUOQNVDVRHCIORH-UHFFFAOYSA-N
XLogP2.87
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 66413497
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411319
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
N-methyl-3-(octylamino)benzamide
CID 43130223
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757928

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The IUPAC name of N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (CID 66412863) is N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is CCCn1cccc1CNc1cccc(C(=O)NC)c1.
What is the InChIKey of N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The InChIKey is UOQNVDVRHCIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-19-10-5-8-15(19)12-18-14-7-4-6-13(11-14)16(20)17-2/h4-8,10-11,18H,3,9,12H2,1-2H3,(H,17,20).
What are the key properties of N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is sourced from PubChem (CID 66412863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).