6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C18H19ClN4O2 — CID 99952767

IUPAC6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)c1c(C)nc2ccc(Cl)cn12
InChIInChI=1S/C18H19ClN4O2/c1-12-17(23-10-13(19)7-8-16(23)21-12)18(24)22(2)15(11-25-3)14-6-4-5-9-20-14/h4-10,15H,11H2,1-3H3/t15-/m1/s1
InChIKeyJEXRFOVVSCTQCE-OAHLLOKOSA-N
MW358.83 g/mol
LogP3.15
Rot. Bonds5

About 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 99952767) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID99952767
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOC[C@H](c1ccccn1)N(C)C(=O)c1c(C)nc2ccc(Cl)cn12
InChIInChI=1S/C18H19ClN4O2/c1-12-17(23-10-13(19)7-8-16(23)21-12)18(24)22(2)15(11-25-3)14-6-4-5-9-20-14/h4-10,15H,11H2,1-3H3/t15-/m1/s1
InChIKeyJEXRFOVVSCTQCE-OAHLLOKOSA-N
XLogP3.15
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 125159367
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,3,5-trimethyl-1H-indole-2-carboxamide
CID 97132449
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methylurea
CID 126447147

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 99952767) is 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide is COC[C@H](c1ccccn1)N(C)C(=O)c1c(C)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JEXRFOVVSCTQCE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-17(23-10-13(19)7-8-16(23)21-12)18(24)22(2)15(11-25-3)14-6-4-5-9-20-14/h4-10,15H,11H2,1-3H3/t15-/m1/s1.
What are the key properties of 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 99952767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).