6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

C20H28N4O3 — CID 71093688

IUPAC6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C1=NCCO1
InChIInChI=1S/C20H28N4O3/c1-20(2,19-21-9-12-26-19)23-17(25)15-7-8-16(24-10-3-4-11-24)18(22-15)27-13-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,23,25)
InChIKeyGZSCMPGTPLQSFM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.41
Rot. Bonds7

About 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 71093688) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID71093688
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C1=NCCO1
InChIInChI=1S/C20H28N4O3/c1-20(2,19-21-9-12-26-19)23-17(25)15-7-8-16(24-10-3-4-11-24)18(22-15)27-13-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,23,25)
InChIKeyGZSCMPGTPLQSFM-UHFFFAOYSA-N
XLogP2.41
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.41
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-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 71093688) is 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1)C1=NCCO1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is GZSCMPGTPLQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,19-21-9-12-26-19)23-17(25)15-7-8-16(24-10-3-4-11-24)18(22-15)27-13-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,23,25).
What are the key properties of 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71093688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).