6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide

C12H17N3O2 — CID 114796308

IUPAC6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCCC2CCNC2)nc1
InChIInChI=1S/C12H17N3O2/c13-12(16)10-1-2-11(15-8-10)17-6-4-9-3-5-14-7-9/h1-2,8-9,14H,3-7H2,(H2,13,16)
InChIKeyMITHQEPPDWJMKZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.56
Rot. Bonds5

About 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide

6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide (PubChem CID 114796308) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
PubChem CID114796308
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(OCCC2CCNC2)nc1
InChIInChI=1S/C12H17N3O2/c13-12(16)10-1-2-11(15-8-10)17-6-4-9-3-5-14-7-9/h1-2,8-9,14H,3-7H2,(H2,13,16)
InChIKeyMITHQEPPDWJMKZ-UHFFFAOYSA-N
XLogP0.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
CID 78990640
6-[(3S)-piperidin-3-yl]oxypyridine-3-carboxamide
CID 66246010
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
CID 118498951
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426
6-butoxypyridine-3-carboxamide
CID 506622
4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
CID 82992578
3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
CID 102668901
ethyl 6-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348809
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
3,6-dichloro-4-(2-pyrrolidin-3-ylethoxy)pyridazine
CID 114796380

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide (CID 114796308) is 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide is NC(=O)c1ccc(OCCC2CCNC2)nc1.
What is the InChIKey of 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide?
The InChIKey is MITHQEPPDWJMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)10-1-2-11(15-8-10)17-6-4-9-3-5-14-7-9/h1-2,8-9,14H,3-7H2,(H2,13,16).
What are the key properties of 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide?
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 114796308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).