N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C16H17N5O3 — CID 47057745

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cn3cccnc3n2)cn1
InChIInChI=1S/C16H17N5O3/c1-23-7-8-24-14-4-3-12(9-18-14)10-19-15(22)13-11-21-6-2-5-17-16(21)20-13/h2-6,9,11H,7-8,10H2,1H3,(H,19,22)
InChIKeyAFACSJQNSKJGBC-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.08
Rot. Bonds7

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 47057745) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID47057745
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2cn3cccnc3n2)cn1
InChIInChI=1S/C16H17N5O3/c1-23-7-8-24-14-4-3-12(9-18-14)10-19-15(22)13-11-21-6-2-5-17-16(21)20-13/h2-6,9,11H,7-8,10H2,1H3,(H,19,22)
InChIKeyAFACSJQNSKJGBC-UHFFFAOYSA-N
XLogP1.08
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 47042423
N-[(2,5-dimethylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74247991
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 146264054
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 47042424
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968500
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 95175829
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55783949
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 47057745) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is COCCOc1ccc(CNC(=O)c2cn3cccnc3n2)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is AFACSJQNSKJGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-23-7-8-24-14-4-3-12(9-18-14)10-19-15(22)13-11-21-6-2-5-17-16(21)20-13/h2-6,9,11H,7-8,10H2,1H3,(H,19,22).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 47057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).