N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide

C19H29N3O2 — CID 25376642

IUPACN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide
SMILESCN(c1ncccc1CNC(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-22(17-7-3-2-4-8-17)18-16(6-5-11-20-18)14-21-19(23)15-9-12-24-13-10-15/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H,21,23)
InChIKeyLFCXYHZBFKEOEK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.89
Rot. Bonds5

About N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide

N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide (PubChem CID 25376642) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide
PubChem CID25376642
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide
SMILESCN(c1ncccc1CNC(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-22(17-7-3-2-4-8-17)18-16(6-5-11-20-18)14-21-19(23)15-9-12-24-13-10-15/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H,21,23)
InChIKeyLFCXYHZBFKEOEK-UHFFFAOYSA-N
XLogP2.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide (CID 25376642) is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide is CN(c1ncccc1CNC(=O)C1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide?
The InChIKey is LFCXYHZBFKEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22(17-7-3-2-4-8-17)18-16(6-5-11-20-18)14-21-19(23)15-9-12-24-13-10-15/h5-6,11,15,17H,2-4,7-10,12-14H2,1H3,(H,21,23).
What are the key properties of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide?
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 25376642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).