2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide

C16H25N3O2 — CID 45487771

IUPAC2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide
SMILESCc1cnc(NC(=O)C(C)(C)C)cc1CN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-14(18-15(20)16(2,3)4)9-13(12)11-19-5-7-21-8-6-19/h9-10H,5-8,11H2,1-4H3,(H,17,18,20)
InChIKeyQJLZKNFBWRBWEU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds3

About 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide

2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide (PubChem CID 45487771) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide
PubChem CID45487771
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide
SMILESCc1cnc(NC(=O)C(C)(C)C)cc1CN1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-14(18-15(20)16(2,3)4)9-13(12)11-19-5-7-21-8-6-19/h9-10H,5-8,11H2,1-4H3,(H,17,18,20)
InChIKeyQJLZKNFBWRBWEU-UHFFFAOYSA-N
XLogP2.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide (CID 45487771) is 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide is Cc1cnc(NC(=O)C(C)(C)C)cc1CN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide?
The InChIKey is QJLZKNFBWRBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-17-14(18-15(20)16(2,3)4)9-13(12)11-19-5-7-21-8-6-19/h9-10H,5-8,11H2,1-4H3,(H,17,18,20).
What are the key properties of 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide?
2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 45487771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).