4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide

C15H22N4O2 — CID 115293891

IUPAC4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3)nc2)CCOCC1
InChIInChI=1S/C15H22N4O2/c16-15(5-9-21-10-6-15)14(20)18-12-3-4-13(17-11-12)19-7-1-2-8-19/h3-4,11H,1-2,5-10,16H2,(H,18,20)
InChIKeyPTYOIVWPTWBBAL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide

4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide (PubChem CID 115293891) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
PubChem CID115293891
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3)nc2)CCOCC1
InChIInChI=1S/C15H22N4O2/c16-15(5-9-21-10-6-15)14(20)18-12-3-4-13(17-11-12)19-7-1-2-8-19/h3-4,11H,1-2,5-10,16H2,(H,18,20)
InChIKeyPTYOIVWPTWBBAL-UHFFFAOYSA-N
XLogP1.13
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminooxane-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 115295266
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclobutane-1-carboxamide
CID 115447710
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119839666
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
3-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 64893945
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
1-amino-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 81178816
1-amino-N-[4-(azepan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 65463655
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
CID 81179873
1-amino-N-(6-pyrazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119842780
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide (CID 115293891) is 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide is NC1(C(=O)Nc2ccc(N3CCCC3)nc2)CCOCC1.
What is the InChIKey of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide?
The InChIKey is PTYOIVWPTWBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-15(5-9-21-10-6-15)14(20)18-12-3-4-13(17-11-12)19-7-1-2-8-19/h3-4,11H,1-2,5-10,16H2,(H,18,20).
What are the key properties of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide?
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 115293891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).