4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide

C23H25N5O3 — CID 90044521

IUPAC4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1cc(CNC(=O)Nc2cc(C)ccn2)ccc1Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C23H25N5O3/c1-4-17-12-16(14-27-23(30)28-21-11-15(2)7-9-26-21)5-6-20(17)31-18-8-10-25-19(13-18)22(29)24-3/h5-13H,4,14H2,1-3H3,(H,24,29)(H2,26,27,28,30)
InChIKeyJDRJFHFNFIUWIT-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.82
Rot. Bonds7

About 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 90044521) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID90044521
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCCc1cc(CNC(=O)Nc2cc(C)ccn2)ccc1Oc1ccnc(C(=O)NC)c1
InChIInChI=1S/C23H25N5O3/c1-4-17-12-16(14-27-23(30)28-21-11-15(2)7-9-26-21)5-6-20(17)31-18-8-10-25-19(13-18)22(29)24-3/h5-13H,4,14H2,1-3H3,(H,24,29)(H2,26,27,28,30)
InChIKeyJDRJFHFNFIUWIT-UHFFFAOYSA-N
XLogP3.82
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
1-[[3-methyl-4-[(2-propanoyl-4-pyridinyl)methyl]phenyl]methyl]-3-(4-methyl-2-pyridinyl)urea
CID 118301554
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[2-fluoro-4-[[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044507
N-methyl-4-[3-[[(4-methylsulfanylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 10454929
4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
4-[2-fluoro-4-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methylcarbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 166375599

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 90044521) is 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide is CCc1cc(CNC(=O)Nc2cc(C)ccn2)ccc1Oc1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is JDRJFHFNFIUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-4-17-12-16(14-27-23(30)28-21-11-15(2)7-9-26-21)5-6-20(17)31-18-8-10-25-19(13-18)22(29)24-3/h5-13H,4,14H2,1-3H3,(H,24,29)(H2,26,27,28,30).
What are the key properties of 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-[[(4-methyl-2-pyridinyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90044521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).