N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide

C19H18ClN5O2 — CID 5330374

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN5O2/c1-27-6-5-19(26)24-16-7-13(9-21-10-16)17-11-22-12-18(25-17)23-15-4-2-3-14(20)8-15/h2-4,7-12H,5-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyFJUNBZBUUOJZKU-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.91
Rot. Bonds7

About N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide (PubChem CID 5330374) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide
PubChem CID5330374
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN5O2/c1-27-6-5-19(26)24-16-7-13(9-21-10-16)17-11-22-12-18(25-17)23-15-4-2-3-14(20)8-15/h2-4,7-12H,5-6H2,1H3,(H,23,25)(H,24,26)
InChIKeyFJUNBZBUUOJZKU-UHFFFAOYSA-N
XLogP3.91
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide (CID 5330374) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide is COCCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide?
The InChIKey is FJUNBZBUUOJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-27-6-5-19(26)24-16-7-13(9-21-10-16)17-11-22-12-18(25-17)23-15-4-2-3-14(20)8-15/h2-4,7-12H,5-6H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide has a molecular weight of 383.84 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-3-methoxypropanamide is sourced from PubChem (CID 5330374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).