N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide

C21H17Cl2N3O3 — CID 52589406

IUPACN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(29-18-7-3-6-17(22)19(18)23)20(27)25-15-4-2-5-16(12-15)26-21(28)14-8-10-24-11-9-14/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1
InChIKeyCUZJDOKGMLXGME-ZDUSSCGKSA-N
MW430.29 g/mol
LogP5.05
Rot. Bonds6

About N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 52589406) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID52589406
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC NameN-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide
SMILESC[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(29-18-7-3-6-17(22)19(18)23)20(27)25-15-4-2-5-16(12-15)26-21(28)14-8-10-24-11-9-14/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1
InChIKeyCUZJDOKGMLXGME-ZDUSSCGKSA-N
XLogP5.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)nicotinamide
CID 2992561
4-[(2-chlorophenoxy)methyl]-N-(pyridin-4-yl)benzamide
CID 890653
2-(2,3-dichlorophenoxy)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 46871958
Impdh2-IN-2
CID 71662081
N-4-pyridinyl-2-(2,4,5-trichlorophenoxy)acetamide
CID 977929
N-{2-[2-(2-Chloro-phenoxy)-acetylamino]-ethyl}-nicotinamide
CID 2985430
N-{2-[2-(2-Chloro-phenoxy)-acetylamino]-ethyl}-isonicotinamide
CID 2987479
N-{3-[2-(2-Chloro-phenoxy)-acetylamino]-propyl}-isonicotinamide
CID 6456987
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)-6-methylpyridine-3-carboxamide
CID 6498661
N-{3-[2-(4-Chloro-phenoxy)-acetylamino]-propyl}-isonicotinamide
CID 6456892
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyridine-4-carboxamide
CID 32599585
N-[3-chloro-4-(3-fluorophenoxy)phenyl]pyridine-4-carboxamide
CID 154695923

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide (CID 52589406) is N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide is C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is CUZJDOKGMLXGME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-13(29-18-7-3-6-17(22)19(18)23)20(27)25-15-4-2-5-16(12-15)26-21(28)14-8-10-24-11-9-14/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 430.29 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 52589406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).