N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C22H34N2O3 — CID 121160706

IUPACN-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C22H34N2O3/c25-22(18-12-14-23-21(16-18)27-20-13-15-26-17-20)24-19-10-8-6-4-2-1-3-5-7-9-11-19/h12,14,16,19-20H,1-11,13,15,17H2,(H,24,25)
InChIKeyRNTRUDMJHLYMSZ-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.65
Rot. Bonds4

About N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 121160706) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID121160706
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)c1ccnc(OC2CCOC2)c1
InChIInChI=1S/C22H34N2O3/c25-22(18-12-14-23-21(16-18)27-20-13-15-26-17-20)24-19-10-8-6-4-2-1-3-5-7-9-11-19/h12,14,16,19-20H,1-11,13,15,17H2,(H,24,25)
InChIKeyRNTRUDMJHLYMSZ-UHFFFAOYSA-N
XLogP4.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 136530424
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 121160706) is N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide is O=C(NC1CCCCCCCCCCC1)c1ccnc(OC2CCOC2)c1.
What is the InChIKey of N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is RNTRUDMJHLYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c25-22(18-12-14-23-21(16-18)27-20-13-15-26-17-20)24-19-10-8-6-4-2-1-3-5-7-9-11-19/h12,14,16,19-20H,1-11,13,15,17H2,(H,24,25).
What are the key properties of N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 121160706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).