N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide

C20H20N4O2 — CID 10472936

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C20H20N4O2/c1-26-12-9-20(25)24-19-14-16(8-11-22-19)15-7-10-21-18(13-15)23-17-5-3-2-4-6-17/h2-8,10-11,13-14H,9,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyIKVLVCWXKRSDND-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.86
Rot. Bonds7

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide (PubChem CID 10472936) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide
PubChem CID10472936
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C20H20N4O2/c1-26-12-9-20(25)24-19-14-16(8-11-22-19)15-7-10-21-18(13-15)23-17-5-3-2-4-6-17/h2-8,10-11,13-14H,9,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyIKVLVCWXKRSDND-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide (CID 10472936) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide is COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide?
The InChIKey is IKVLVCWXKRSDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-12-9-20(25)24-19-14-16(8-11-22-19)15-7-10-21-18(13-15)23-17-5-3-2-4-6-17/h2-8,10-11,13-14H,9,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide has a molecular weight of 348.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-methoxypropanamide is sourced from PubChem (CID 10472936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).