N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

C14H17N3O2 — CID 53185018

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1cccn1C
InChIInChI=1S/C14H17N3O2/c1-16-9-5-7-12(16)14(18)17(2)10-11-6-4-8-15-13(11)19-3/h4-9H,10H2,1-3H3
InChIKeyHUUXKQXQMLIAKB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.70
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 53185018) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID53185018
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1cccn1C
InChIInChI=1S/C14H17N3O2/c1-16-9-5-7-12(16)14(18)17(2)10-11-6-4-8-15-13(11)19-3/h4-9H,10H2,1-3H3
InChIKeyHUUXKQXQMLIAKB-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (CID 53185018) is N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is COc1ncccc1CN(C)C(=O)c1cccn1C.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is HUUXKQXQMLIAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-9-5-7-12(16)14(18)17(2)10-11-6-4-8-15-13(11)19-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 53185018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).