4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide

C18H26N4O2 — CID 91796653

IUPAC4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1
InChIInChI=1S/C18H26N4O2/c1-2-5-14-13(10-19-11-20-14)18(23)21-15-12-6-9-24-17(12)16(15)22-7-3-4-8-22/h10-12,15-17H,2-9H2,1H3,(H,21,23)/t12-,15+,16-,17-/m1/s1
InChIKeySNEQQGAKPVBXBV-VJUNAUMWSA-N
MW330.43 g/mol
LogP1.41
Rot. Bonds5

About 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide

4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide (PubChem CID 91796653) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
PubChem CID91796653
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1
InChIInChI=1S/C18H26N4O2/c1-2-5-14-13(10-19-11-20-14)18(23)21-15-12-6-9-24-17(12)16(15)22-7-3-4-8-22/h10-12,15-17H,2-9H2,1H3,(H,21,23)/t12-,15+,16-,17-/m1/s1
InChIKeySNEQQGAKPVBXBV-VJUNAUMWSA-N
XLogP1.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 91774100
N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 118786538
3-hydroxy-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyridine-2-carboxamide
CID 91761664
1-ethyl-3,5-dimethyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrazole-4-carboxamide
CID 91779580
3-(1-methylpyrazol-4-yl)-N-[(1R,5R,6S,7R)-7-piperidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91778198
6-oxo-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyridine-2-carboxamide
CID 91775118
2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91789516
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
CID 91781950
N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
CID 77094686
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-propylpyrimidine-5-carboxamide
CID 91786638
N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 133267370
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide (CID 91796653) is 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide is CCCc1ncncc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1.
What is the InChIKey of 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide?
The InChIKey is SNEQQGAKPVBXBV-VJUNAUMWSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-2-5-14-13(10-19-11-20-14)18(23)21-15-12-6-9-24-17(12)16(15)22-7-3-4-8-22/h10-12,15-17H,2-9H2,1H3,(H,21,23)/t12-,15+,16-,17-/m1/s1.
What are the key properties of 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide?
4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91796653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).