N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide

C15H20N4O2 — CID 87018905

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
SMILESCc1nccn1-c1ccc(NC(=O)CCOC(C)C)cn1
InChIInChI=1S/C15H20N4O2/c1-11(2)21-9-6-15(20)18-13-4-5-14(17-10-13)19-8-7-16-12(19)3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,18,20)
InChIKeyNGSMUIDUABXHDD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds6

About N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide (PubChem CID 87018905) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
PubChem CID87018905
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
SMILESCc1nccn1-c1ccc(NC(=O)CCOC(C)C)cn1
InChIInChI=1S/C15H20N4O2/c1-11(2)21-9-6-15(20)18-13-4-5-14(17-10-13)19-8-7-16-12(19)3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,18,20)
InChIKeyNGSMUIDUABXHDD-UHFFFAOYSA-N
XLogP2.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
CID 90564944
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
2-cyclohexyloxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 87018909
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-naphthalen-2-yloxyacetamide
CID 90565021
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
3-amino-4-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896268
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 47049355

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide (CID 87018905) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide is Cc1nccn1-c1ccc(NC(=O)CCOC(C)C)cn1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide?
The InChIKey is NGSMUIDUABXHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)21-9-6-15(20)18-13-4-5-14(17-10-13)19-8-7-16-12(19)3/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,18,20).
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide has a molecular weight of 288.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 87018905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).