2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide

C17H26N4O2 — CID 84597190

IUPAC2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESCc1nc(N2CCCC2)ccc1NC(=O)N1CCOC(C)C1C
InChIInChI=1S/C17H26N4O2/c1-12-15(6-7-16(18-12)20-8-4-5-9-20)19-17(22)21-10-11-23-14(3)13(21)2/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyVQFPENABWYHLPZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.63
Rot. Bonds2

About 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide

2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide (PubChem CID 84597190) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide
PubChem CID84597190
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide
SMILESCc1nc(N2CCCC2)ccc1NC(=O)N1CCOC(C)C1C
InChIInChI=1S/C17H26N4O2/c1-12-15(6-7-16(18-12)20-8-4-5-9-20)19-17(22)21-10-11-23-14(3)13(21)2/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyVQFPENABWYHLPZ-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide (CID 84597190) is 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide is Cc1nc(N2CCCC2)ccc1NC(=O)N1CCOC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide?
The InChIKey is VQFPENABWYHLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-15(6-7-16(18-12)20-8-4-5-9-20)19-17(22)21-10-11-23-14(3)13(21)2/h6-7,13-14H,4-5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide?
2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 84597190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).