N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide

C22H38N4O2 — CID 67287424

IUPACN-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
SMILESCCN(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCCCC(C)(C)C
InChIInChI=1S/C22H38N4O2/c1-8-25(7)20-19(21(27)23-11-9-10-22(4,5)6)16(2)14-18(24-20)26-12-13-28-15-17(26)3/h14,17H,8-13,15H2,1-7H3,(H,23,27)/t17-/m1/s1
InChIKeyUTQZGMKBEKDNRM-QGZVFWFLSA-N
MW390.57 g/mol
LogP3.63
Rot. Bonds7

About N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide

N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide (PubChem CID 67287424) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
PubChem CID67287424
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
SMILESCCN(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCCCC(C)(C)C
InChIInChI=1S/C22H38N4O2/c1-8-25(7)20-19(21(27)23-11-9-10-22(4,5)6)16(2)14-18(24-20)26-12-13-28-15-17(26)3/h14,17H,8-13,15H2,1-7H3,(H,23,27)/t17-/m1/s1
InChIKeyUTQZGMKBEKDNRM-QGZVFWFLSA-N
XLogP3.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylpentyl)-2-(2-methoxyethoxy)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67288271
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
CID 67286792
N-(4,4-dimethylpentyl)-2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide;methyl 2-(3-methoxypropyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxylate
CID 161466623
2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286966
2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 70816934
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
CID 62255022
N-[tert-butyl-[[2-iodo-6-(3-methylmorpholin-4-yl)pyrimidin-4-yl]methyl]-oxo-λ6-sulfanylidene]-2,2-dimethylpropanamide
CID 174232029
2-(diethylamino)-6-methyl-N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 71688945
ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
CID 159883617
N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
CID 70816831

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide (CID 67287424) is N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide is CCN(C)c1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is UTQZGMKBEKDNRM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-8-25(7)20-19(21(27)23-11-9-10-22(4,5)6)16(2)14-18(24-20)26-12-13-28-15-17(26)3/h14,17H,8-13,15H2,1-7H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide?
N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-2-[ethyl(methyl)amino]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67287424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).