6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

C23H36N4O3 — CID 71105558

IUPAC6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(CCN1CCOCC1)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H36N4O3/c1-23(2,9-12-26-13-15-29-16-14-26)25-21(28)19-7-8-20(27-10-3-4-11-27)22(24-19)30-17-18-5-6-18/h7-8,18H,3-6,9-17H2,1-2H3,(H,25,28)
InChIKeyDWJBJQVSHMQGRW-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.70
Rot. Bonds9

About 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 71105558) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID71105558
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(CCN1CCOCC1)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C23H36N4O3/c1-23(2,9-12-26-13-15-29-16-14-26)25-21(28)19-7-8-20(27-10-3-4-11-27)22(24-19)30-17-18-5-6-18/h7-8,18H,3-6,9-17H2,1-2H3,(H,25,28)
InChIKeyDWJBJQVSHMQGRW-UHFFFAOYSA-N
XLogP2.70
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 71105558) is 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is CC(C)(CCN1CCOCC1)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is DWJBJQVSHMQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-23(2,9-12-26-13-15-29-16-14-26)25-21(28)19-7-8-20(27-10-3-4-11-27)22(24-19)30-17-18-5-6-18/h7-8,18H,3-6,9-17H2,1-2H3,(H,25,28).
What are the key properties of 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-(2-methyl-4-morpholin-4-ylbutan-2-yl)-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71105558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).