4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide

C13H16N4O — CID 55142255

IUPAC4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(6-15-9)7-16-13(18)12-5-11(14)8-17(12)2/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyGUENJUQMMSHFFY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.24
Rot. Bonds3

About 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide

4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide (PubChem CID 55142255) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
PubChem CID55142255
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C13H16N4O/c1-9-3-4-10(6-15-9)7-16-13(18)12-5-11(14)8-17(12)2/h3-6,8H,7,14H2,1-2H3,(H,16,18)
InChIKeyGUENJUQMMSHFFY-UHFFFAOYSA-N
XLogP1.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 62997396
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62989655
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 79721449
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide (CID 55142255) is 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2cc(N)cn2C)cn1.
What is the InChIKey of 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The InChIKey is GUENJUQMMSHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-3-4-10(6-15-9)7-16-13(18)12-5-11(14)8-17(12)2/h3-6,8H,7,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55142255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).