N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C19H23N5O2 — CID 42098026

IUPACN-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc(NCc2ccc(C)o2)nc1
InChIInChI=1S/C19H23N5O2/c1-4-24(13-18-20-9-10-23(18)3)19(25)15-6-8-17(21-11-15)22-12-16-7-5-14(2)26-16/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyQLHSYRSRWMGTGF-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.99
Rot. Bonds7

About N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 42098026) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID42098026
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1ccc(NCc2ccc(C)o2)nc1
InChIInChI=1S/C19H23N5O2/c1-4-24(13-18-20-9-10-23(18)3)19(25)15-6-8-17(21-11-15)22-12-16-7-5-14(2)26-16/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyQLHSYRSRWMGTGF-UHFFFAOYSA-N
XLogP2.99
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 42098026) is N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is CCN(Cc1nccn1C)C(=O)c1ccc(NCc2ccc(C)o2)nc1.
What is the InChIKey of N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QLHSYRSRWMGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-24(13-18-20-9-10-23(18)3)19(25)15-6-8-17(21-11-15)22-12-16-7-5-14(2)26-16/h5-11H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methylfuran-2-yl)methylamino]-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42098026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).