N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide

C18H30N4O — CID 109263085

IUPACN-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C18H30N4O/c1-3-11-22(12-4-2)18-19-13-15(14-20-18)17(23)21-16-9-7-5-6-8-10-16/h13-14,16H,3-12H2,1-2H3,(H,21,23)
InChIKeyCOUYUHWUNDXEIC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.56
Rot. Bonds7

About N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide

N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide (PubChem CID 109263085) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
PubChem CID109263085
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide
SMILESCCCN(CCC)c1ncc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C18H30N4O/c1-3-11-22(12-4-2)18-19-13-15(14-20-18)17(23)21-16-9-7-5-6-8-10-16/h13-14,16H,3-12H2,1-2H3,(H,21,23)
InChIKeyCOUYUHWUNDXEIC-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
N-cycloheptyl-2-methoxypyrimidine-5-carboxamide
CID 51364566
N-[2-(cyclohexen-1-yl)ethyl]-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109251069
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
2-(cyclohexylamino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109250532
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide (CID 109263085) is N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide is CCCN(CCC)c1ncc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide?
The InChIKey is COUYUHWUNDXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-11-22(12-4-2)18-19-13-15(14-20-18)17(23)21-16-9-7-5-6-8-10-16/h13-14,16H,3-12H2,1-2H3,(H,21,23).
What are the key properties of N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide?
N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(dipropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).