N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

C15H18N4O3 — CID 166256789

IUPACN-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc3cccn3cn2)CCOCC1
InChIInChI=1S/C15H18N4O3/c1-16-14(21)15(4-7-22-8-5-15)18-13(20)12-9-11-3-2-6-19(11)10-17-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,21)(H,18,20)
InChIKeyPYIWUZPXKRIRGU-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.36
Rot. Bonds3

About N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 166256789) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID166256789
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cc3cccn3cn2)CCOCC1
InChIInChI=1S/C15H18N4O3/c1-16-14(21)15(4-7-22-8-5-15)18-13(20)12-9-11-3-2-6-19(11)10-17-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,21)(H,18,20)
InChIKeyPYIWUZPXKRIRGU-UHFFFAOYSA-N
XLogP0.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylcarbamoyl)oxan-4-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),7-diene-7-carboxamide
CID 67061172
N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
CID 167875518
1-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-3-phenylpyrazole-5-carboxamide
CID 77087471
2-[4-(indolizine-2-carbonylamino)oxan-4-yl]acetic acid
CID 99578301
3-[(3-carbamoyloxolan-3-yl)carbamoyl]-1-phenylpyrazole-5-carboxylic acid
CID 167812983
N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
CID 126802260
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
N-[1-methyl-4-(methylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 22981975
4-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]oxane-4-carboxylic acid
CID 122109146
3-[[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]oxolane-3-carboxylic acid
CID 120532707
5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
CID 136566735

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 166256789) is N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is CNC(=O)C1(NC(=O)c2cc3cccn3cn2)CCOCC1.
What is the InChIKey of N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is PYIWUZPXKRIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-16-14(21)15(4-7-22-8-5-15)18-13(20)12-9-11-3-2-6-19(11)10-17-12/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,16,21)(H,18,20).
What are the key properties of N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?
N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoyl)oxan-4-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 166256789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).