N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide

C18H26N4O3 — CID 167885653

IUPACN,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCCCN(C(=O)C3(C)CC3)C2)nc(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-12-10-14(20-17(25)19-12)15(23)21(3)13-6-4-5-9-22(11-13)16(24)18(2)7-8-18/h10,13H,4-9,11H2,1-3H3,(H,19,20,25)
InChIKeyOYHZJUBIGCIDJB-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.33
Rot. Bonds3

About N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide

N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 167885653) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID167885653
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCCCN(C(=O)C3(C)CC3)C2)nc(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-12-10-14(20-17(25)19-12)15(23)21(3)13-6-4-5-9-22(11-13)16(24)18(2)7-8-18/h10,13H,4-9,11H2,1-3H3,(H,19,20,25)
InChIKeyOYHZJUBIGCIDJB-UHFFFAOYSA-N
XLogP1.33
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 167885653) is N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C2CCCCN(C(=O)C3(C)CC3)C2)nc(=O)[nH]1.
What is the InChIKey of N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is OYHZJUBIGCIDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-10-14(20-17(25)19-12)15(23)21(3)13-6-4-5-9-22(11-13)16(24)18(2)7-8-18/h10,13H,4-9,11H2,1-3H3,(H,19,20,25).
What are the key properties of N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide?
N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 167885653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).