N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide

C21H23N3O3 — CID 136662489

IUPACN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H23N3O3/c25-19-11-17(23-20(24-19)12-3-4-12)15-9-16(10-15)22-21(26)14-5-6-18-13(8-14)2-1-7-27-18/h5-6,8,11-12,15-16H,1-4,7,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyNDSADCBTNLAMOW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.65
Rot. Bonds4

About N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 136662489) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID136662489
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H23N3O3/c25-19-11-17(23-20(24-19)12-3-4-12)15-9-16(10-15)22-21(26)14-5-6-18-13(8-14)2-1-7-27-18/h5-6,8,11-12,15-16H,1-4,7,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyNDSADCBTNLAMOW-UHFFFAOYSA-N
XLogP2.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 136662489) is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is NDSADCBTNLAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-11-17(23-20(24-19)12-3-4-12)15-9-16(10-15)22-21(26)14-5-6-18-13(8-14)2-1-7-27-18/h5-6,8,11-12,15-16H,1-4,7,9-10H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 136662489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).