(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide

C19H22N4O2 — CID 96531356

IUPAC(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide
SMILESC[C@@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N
InChIInChI=1S/C19H22N4O2/c1-15(19(24)23(2)12-4-10-20)22-17-6-8-18(9-7-17)25-14-16-5-3-11-21-13-16/h3,5-9,11,13,15,22H,4,12,14H2,1-2H3/t15-/m1/s1
InChIKeyIQBAVXUSCRBSIZ-OAHLLOKOSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds8

About (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide

(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide (PubChem CID 96531356) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide
PubChem CID96531356
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide
SMILESC[C@@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N
InChIInChI=1S/C19H22N4O2/c1-15(19(24)23(2)12-4-10-20)22-17-6-8-18(9-7-17)25-14-16-5-3-11-21-13-16/h3,5-9,11,13,15,22H,4,12,14H2,1-2H3/t15-/m1/s1
InChIKeyIQBAVXUSCRBSIZ-OAHLLOKOSA-N
XLogP2.83
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
(2R)-N-(2-cyanoethyl)-N-methyl-2-(3-propoxyanilino)propanamide
CID 96531118
(2S)-2-[4-(pyridin-3-ylmethoxy)anilino]butanamide
CID 95767486
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide
CID 86791846
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide?
The IUPAC name of (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide (CID 96531356) is (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide is C[C@@H](Nc1ccc(OCc2cccnc2)cc1)C(=O)N(C)CCC#N.
What is the InChIKey of (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide?
The InChIKey is IQBAVXUSCRBSIZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15(19(24)23(2)12-4-10-20)22-17-6-8-18(9-7-17)25-14-16-5-3-11-21-13-16/h3,5-9,11,13,15,22H,4,12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide?
(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-(pyridin-3-ylmethoxy)anilino]propanamide is sourced from PubChem (CID 96531356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).