6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

C18H22N4O2 — CID 51083900

IUPAC6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-6-5-15(13-20-17)18(23)21-12-14-7-8-19-16(11-14)22-9-3-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,21,23)
InChIKeyWQCLQCKDSZFWOO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.41
Rot. Bonds6

About 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 51083900) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID51083900
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1
InChIInChI=1S/C18H22N4O2/c1-2-24-17-6-5-15(13-20-17)18(23)21-12-14-7-8-19-16(11-14)22-9-3-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,21,23)
InChIKeyWQCLQCKDSZFWOO-UHFFFAOYSA-N
XLogP2.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 51083900) is 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccnc(N3CCCC3)c2)cn1.
What is the InChIKey of 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is WQCLQCKDSZFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-17-6-5-15(13-20-17)18(23)21-12-14-7-8-19-16(11-14)22-9-3-4-10-22/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,21,23).
What are the key properties of 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51083900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).