4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide

C13H16N4O — CID 61115899

IUPAC4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H16N4O/c1-9(10-3-5-15-6-4-10)17(2)13(18)12-7-11(14)8-16-12/h3-9,16H,14H2,1-2H3
InChIKeyWYAKRLIPVRIFAB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.83
Rot. Bonds3

About 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61115899) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID61115899
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H16N4O/c1-9(10-3-5-15-6-4-10)17(2)13(18)12-7-11(14)8-16-12/h3-9,16H,14H2,1-2H3
InChIKeyWYAKRLIPVRIFAB-UHFFFAOYSA-N
XLogP1.83
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61116700
4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61114386
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 62792415
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 146088120
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
4-amino-N-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43641987

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide (CID 61115899) is 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide is CC(c1ccncc1)N(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WYAKRLIPVRIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(10-3-5-15-6-4-10)17(2)13(18)12-7-11(14)8-16-12/h3-9,16H,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61115899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).