(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide

C16H22N4O2 — CID 94821236

IUPAC(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@@H](C)OCC(C)C
InChIInChI=1S/C16H22N4O2/c1-11(2)10-22-12(3)16(21)19-14-6-5-7-18-15(14)20-9-8-17-13(20)4/h5-9,11-12H,10H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyJNZFALHRVYEHBQ-GFCCVEGCSA-N
MW302.38 g/mol
LogP2.58
Rot. Bonds6

About (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide

(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide (PubChem CID 94821236) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
PubChem CID94821236
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@@H](C)OCC(C)C
InChIInChI=1S/C16H22N4O2/c1-11(2)10-22-12(3)16(21)19-14-6-5-7-18-15(14)20-9-8-17-13(20)4/h5-9,11-12H,10H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyJNZFALHRVYEHBQ-GFCCVEGCSA-N
XLogP2.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 61179586
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119847732

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide?
The IUPAC name of (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide (CID 94821236) is (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide is Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)OCC(C)C.
What is the InChIKey of (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide?
The InChIKey is JNZFALHRVYEHBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)10-22-12(3)16(21)19-14-6-5-7-18-15(14)20-9-8-17-13(20)4/h5-9,11-12H,10H2,1-4H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide?
(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide is sourced from PubChem (CID 94821236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).