N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide

C14H17N3O — CID 110470852

IUPACN-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-17(2)12-6-3-5-11(9-12)10-16-14(18)13-7-4-8-15-13/h3-9,15H,10H2,1-2H3,(H,16,18)
InChIKeyFOLOPPAHXBVTHS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds4

About N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide

N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110470852) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID110470852
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc[nH]2)c1
InChIInChI=1S/C14H17N3O/c1-17(2)12-6-3-5-11(9-12)10-16-14(18)13-7-4-8-15-13/h3-9,15H,10H2,1-2H3,(H,16,18)
InChIKeyFOLOPPAHXBVTHS-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 63311038
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
3-[3-[(1H-pyrrole-2-carbonylamino)methyl]phenyl]prop-2-enoic acid
CID 76906056
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110480964
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 137169810
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 110470852) is N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide is CN(C)c1cccc(CNC(=O)c2ccc[nH]2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FOLOPPAHXBVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)12-6-3-5-11(9-12)10-16-14(18)13-7-4-8-15-13/h3-9,15H,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide?
N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110470852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).