N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide

C22H23N5O2 — CID 166261360

IUPACN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
SMILESCc1ccnc(Oc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2C)c1
InChIInChI=1S/C22H23N5O2/c1-14-7-9-24-20(10-14)29-19-11-17(6-5-15(19)2)27-22(28)16-12-25-21(26-13-16)18-4-3-8-23-18/h5-7,9-13,18,23H,3-4,8H2,1-2H3,(H,27,28)
InChIKeyHULMRMYPIYPAGN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.96
Rot. Bonds5

About N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide

N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide (PubChem CID 166261360) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
PubChem CID166261360
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
SMILESCc1ccnc(Oc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2C)c1
InChIInChI=1S/C22H23N5O2/c1-14-7-9-24-20(10-14)29-19-11-17(6-5-15(19)2)27-22(28)16-12-25-21(26-13-16)18-4-3-8-23-18/h5-7,9-13,18,23H,3-4,8H2,1-2H3,(H,27,28)
InChIKeyHULMRMYPIYPAGN-UHFFFAOYSA-N
XLogP3.96
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119891518
N-(3-oxo-4H-1,4-benzothiazin-7-yl)-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
CID 167754462
2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
CID 119891542
4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
CID 120597132
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
N-(2-methyl-4-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971294
N-(4-methyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104971273
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide (CID 166261360) is N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide is Cc1ccnc(Oc2cc(NC(=O)c3cnc(C4CCCN4)nc3)ccc2C)c1.
What is the InChIKey of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
The InChIKey is HULMRMYPIYPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-7-9-24-20(10-14)29-19-11-17(6-5-15(19)2)27-22(28)16-12-25-21(26-13-16)18-4-3-8-23-18/h5-7,9-13,18,23H,3-4,8H2,1-2H3,(H,27,28).
What are the key properties of N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide?
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 166261360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).