N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

C16H26N4O2 — CID 45487760

IUPACN-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(N)cn1
InChIInChI=1S/C16H26N4O2/c1-4-16(2,3)15(21)19-14-9-12(13(17)10-18-14)11-20-5-7-22-8-6-20/h9-10H,4-8,11,17H2,1-3H3,(H,18,19,21)
InChIKeyQYAFAVRFPBBCLT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.87
Rot. Bonds5

About N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide

N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (PubChem CID 45487760) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
PubChem CID45487760
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(N)cn1
InChIInChI=1S/C16H26N4O2/c1-4-16(2,3)15(21)19-14-9-12(13(17)10-18-14)11-20-5-7-22-8-6-20/h9-10H,4-8,11,17H2,1-3H3,(H,18,19,21)
InChIKeyQYAFAVRFPBBCLT-UHFFFAOYSA-N
XLogP1.87
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide (CID 45487760) is N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(CN2CCOCC2)c(N)cn1.
What is the InChIKey of N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
The InChIKey is QYAFAVRFPBBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-16(2,3)15(21)19-14-9-12(13(17)10-18-14)11-20-5-7-22-8-6-20/h9-10H,4-8,11,17H2,1-3H3,(H,18,19,21).
What are the key properties of N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide?
N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(morpholin-4-ylmethyl)-2-pyridinyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 45487760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).