N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide

C18H29N3O2 — CID 46515997

IUPACN-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(2)5-4-6-15(3)20-18(22)16-7-8-17(19-13-16)21-9-11-23-12-10-21/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,20,22)
InChIKeyOJAFGEBNQVCYFN-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.86
Rot. Bonds7

About N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 46515997) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID46515997
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(2)5-4-6-15(3)20-18(22)16-7-8-17(19-13-16)21-9-11-23-12-10-21/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,20,22)
InChIKeyOJAFGEBNQVCYFN-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
6-amino-N-(6-methylheptan-2-yl)pyridine-3-carboxamide
CID 62073113
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98750935
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
6-morpholin-4-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18143105
methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
CID 30043103
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 46515997) is N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is CC(C)CCCC(C)NC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is OJAFGEBNQVCYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)5-4-6-15(3)20-18(22)16-7-8-17(19-13-16)21-9-11-23-12-10-21/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,20,22).
What are the key properties of N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 46515997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).