N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide

C20H20N4O2 — CID 95123486

IUPACN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H20N4O2/c1-24(18(14-26-2)17-10-6-7-11-21-17)20(25)16-12-22-19(23-13-16)15-8-4-3-5-9-15/h3-13,18H,14H2,1-2H3/t18-/m0/s1
InChIKeyHIDUWDXFMXDXQO-SFHVURJKSA-N
MW348.41 g/mol
LogP3.00
Rot. Bonds6

About N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 95123486) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID95123486
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H20N4O2/c1-24(18(14-26-2)17-10-6-7-11-21-17)20(25)16-12-22-19(23-13-16)15-8-4-3-5-9-15/h3-13,18H,14H2,1-2H3/t18-/m0/s1
InChIKeyHIDUWDXFMXDXQO-SFHVURJKSA-N
XLogP3.00
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-dimethyl-2-pyridinyl)-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125439779
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
CID 125159408
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70760488
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
4-[3-(hydroxymethyl)phenyl]-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylnaphthalene-1-carboxamide
CID 172662620
N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 74239636
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
6-chloro-N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 99952767

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide (CID 95123486) is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide is COC[C@@H](c1ccccn1)N(C)C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is HIDUWDXFMXDXQO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(18(14-26-2)17-10-6-7-11-21-17)20(25)16-12-22-19(23-13-16)15-8-4-3-5-9-15/h3-13,18H,14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide?
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 95123486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).