N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C19H22N4O3 — CID 39505500

IUPACN-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cn1
InChIInChI=1S/C19H22N4O3/c1-23(2)17-9-8-15(11-20-17)21-18(24)12-26-16-5-3-4-14(10-16)22-19(25)13-6-7-13/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWVSLXVFOPYZVKN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.51
Rot. Bonds7

About N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 39505500) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID39505500
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN(C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cn1
InChIInChI=1S/C19H22N4O3/c1-23(2)17-9-8-15(11-20-17)21-18(24)12-26-16-5-3-4-14(10-16)22-19(25)13-6-7-13/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyWVSLXVFOPYZVKN-UHFFFAOYSA-N
XLogP2.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603
N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methoxyphenoxy)acetamide
CID 46699606
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 39505500) is N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CN(C)c1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cn1.
What is the InChIKey of N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is WVSLXVFOPYZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-23(2)17-9-8-15(11-20-17)21-18(24)12-26-16-5-3-4-14(10-16)22-19(25)13-6-7-13/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 39505500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).