N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide

C16H24N2O3 — CID 77097509

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2(N(C)C)CCCCC2)o1
InChIInChI=1S/C16H24N2O3/c1-12-9-13(19)10-14(21-12)15(20)17-11-16(18(2)3)7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyOIAHCDVOZYLNOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 77097509) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID77097509
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2(N(C)C)CCCCC2)o1
InChIInChI=1S/C16H24N2O3/c1-12-9-13(19)10-14(21-12)15(20)17-11-16(18(2)3)7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3,(H,17,20)
InChIKeyOIAHCDVOZYLNOZ-UHFFFAOYSA-N
XLogP1.94
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 75427178
N-[2-(1-isopropylpiperidin-4-yl)ethyl]-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 91778812
N-(1-cyclohexylpiperidin-3-yl)-6-methyl-4-oxo-4H-pyran-2-carboxamide
CID 118769883
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
CID 121525390
N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124852018
N-[[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124852019
N-[(3S)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
CID 125156434
N-[(3R)-1-cyclohexylpiperidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
CID 125156435

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 77097509) is N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCC2(N(C)C)CCCCC2)o1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is OIAHCDVOZYLNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-13(19)10-14(21-12)15(20)17-11-16(18(2)3)7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3,(H,17,20).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 77097509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).