ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide

C22H45N3O2 — CID 170596976

IUPACethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide
SMILESC=O.CC.CC.CC.CNC(=O)C(C)(C)CC(C)(C)Nc1ccc(C)nc1
InChIInChI=1S/C15H25N3O.3C2H6.CH2O/c1-11-7-8-12(9-17-11)18-15(4,5)10-14(2,3)13(19)16-6;4*1-2/h7-9,18H,10H2,1-6H3,(H,16,19);3*1-2H3;1H2
InChIKeyIMYGYANZZLBUIJ-UHFFFAOYSA-N
MW383.62 g/mol
LogP5.64
Rot. Bonds5

About ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide

ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide (PubChem CID 170596976) has the molecular formula C22H45N3O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide.

Molecular Properties

Compound Nameethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide
PubChem CID170596976
Molecular FormulaC22H45N3O2
Molecular Weight383.62 g/mol
Exact Mass383.35
IUPAC Nameethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide
SMILESC=O.CC.CC.CC.CNC(=O)C(C)(C)CC(C)(C)Nc1ccc(C)nc1
InChIInChI=1S/C15H25N3O.3C2H6.CH2O/c1-11-7-8-12(9-17-11)18-15(4,5)10-14(2,3)13(19)16-6;4*1-2/h7-9,18H,10H2,1-6H3,(H,16,19);3*1-2H3;1H2
InChIKeyIMYGYANZZLBUIJ-UHFFFAOYSA-N
XLogP5.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diethyl-N,2,4-trimethyl-N'-(6-methyl-3-pyridinyl)pentanediamide
CID 122647066
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
N,2,2,4-tetramethyl-4-(4-methylphenyl)pentanamide
CID 174300532
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
3-[(6-carbamothioyl-3-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106277603
5-aminosulfanyloxy-N,2,2,4,4-pentamethylpentanamide;ethane;5-methylpyridin-2-amine
CID 144683467
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoyl]butanoic acid
CID 116537364

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide?
The IUPAC name of ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide (CID 170596976) is ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide.
What is the SMILES notation for ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide?
The canonical SMILES for ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide is C=O.CC.CC.CC.CNC(=O)C(C)(C)CC(C)(C)Nc1ccc(C)nc1.
What is the InChIKey of ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide?
The InChIKey is IMYGYANZZLBUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.3C2H6.CH2O/c1-11-7-8-12(9-17-11)18-15(4,5)10-14(2,3)13(19)16-6;4*1-2/h7-9,18H,10H2,1-6H3,(H,16,19);3*1-2H3;1H2.
What are the key properties of ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide?
ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide has a molecular weight of 383.62 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N,2,2,4-tetramethyl-4-[(6-methyl-3-pyridinyl)amino]pentanamide is sourced from PubChem (CID 170596976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).